JAZL/ChemGist-CHON huggingface dataset:
Compound: METHYL ISOBUTYRATE
SMILES: O=C(OC)C(C)C
InChIKey: BHIWKHZACMWKOJ-UHFFFAOYSA-N
Synonyms: METHYL ISOBUTYRATE, 547-63-7, Methyl 2-methylpropanoate, Methyl 2-methylpropionate, Propanoic acid, 2-methyl-, methyl ester, Isobutyric acid, methyl ester, FEMA No. 2694, EM286QL922, NSC-126780, DTXSID5060275, CHEBI:73689, RefChem:157905, DTXCID9041782, 208-929-5, Methyl isobutanoate, ISOBUTYRIC ACID METHYL ESTER, 26161-42-2, Methylester kyseliny isomaselne, NSC 126780, methylisobutyrate, Methyl isobutyrate (natural), MFCD00166383, Poly(L-lactide) SRU, 2-methylpropanoic acid methyl ester, EINECS 208-929-5, MFCD00008914, Methylester kyseliny isomaselne [Czech], BRN 1740720, UNII-EM286QL922, MFCD00131929, Methyl methylpropanoate, methyl 2-methylproponate, Methyl isobutyrate, 99%, Isobutyric acid-methyl ester, SCHEMBL66536, SCHEMBL127462, SCHEMBL292883, SCHEMBL298986, (CH3)2CHC(O)OCH3, Methyl isobutyrate, 99%, FG, SCHEMBL1097587, SCHEMBL1098657, SCHEMBL5962733, WLN: 1Y1&VO1, METHYL ISOBUTYRATE [MI], METHYL ISOBUTYRATE [FCC], FEMA 2694, METHYL ISOBUTYRATE [FHFI], Methyl isobutyrate, natural, 98%, CS-D1465, NSC126780, SBB061111, 2-Methyl-propanoic acid, methyl ester, AKOS005259719, AT32202, EBC-627106, BP-30192, BS-22318, I0106, M0088, NS00004519, NS00021206, ST51047174, EN300-49191, F097703, Q146123, Q27143856, InChI=1/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H
Theoretical properties:
molecular_formula: C5H10O2
molecular_weight: 102.13 g/mol
exact_mass: 102.068079557 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 7
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 91.00 to 93.00 °C. @ 760.00 mm Hg
melting_point: -84.7 °C
density: 0.884-0.888
solubility: 1 ml in 1 ml 95% alcohol (in ethanol)
Descriptions:
pubchem: Methyl isobutyrate is the fatty acid methyl ester of isobutyric acid. It has a role as a metabolite. It is functionally related to an isobutyric acid.
chebi: The fatty acid methyl ester of isobutyric acid.
wikipedia: Methyl isobutyrate is an organic compound with the formula CH3O2CCH(CH3)2.  This colorless liquid, the methyl ester of isobutyric acid, is used as a solvent.
Compound: ZEBLTAXSHAKMDJ-QBSCYWOBSA-N
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4C5([C@@H](C(=O)CO)CC4)C[C@@H]3OC5)CC2)(C)CC1
InChIKey: ZEBLTAXSHAKMDJ-QBSCYWOBSA-N
Synonyms: ZEBLTAXSHAKMDJ-QBSCYWOBSA-N, (2S,5S,6S,14R,15S,16S)-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-one
Theoretical properties:
molecular_formula: C21H28O4
molecular_weight: 344.4 g/mol
exact_mass: 344.19875937 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 25
topological_polar_surface_area: 63.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: 18-Deoxyaldosterone is a steroidal antimineralocorticoid with mixed agonist–antagonist but predominantly antagonistic activity at the mineralocorticoid receptor.
Compound: Mexrenoic acid
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@](O)(CCC(=O)O)CC4)(C)CC3)[C@@H](C2)C(=O)OC)(C)CC1
InChIKey: JBXXREPMUABISH-RGKMBJPFSA-N
Synonyms: Mexrenoic acid, mexrenoate, UNII-2MN58RDC9D, 2MN58RDC9D, 41020-68-2, Pregn-4-ene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, 7-methyl ester, SCHEMBL6705061, CHEMBL2110977, DTXSID50194004, JBXXREPMUABISH-RGKMBJPFSA-N, Q27254980, 3-[(1R,3aS,3bR,4R,9aR,9bS,11aS)-1-Hydroxy-4-(methoxycarbonyl)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]propanoic acid
Theoretical properties:
molecular_formula: C24H34O6
molecular_weight: 418.5 g/mol
exact_mass: 418.23553880 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 5
heavy_atom_count: 30
topological_polar_surface_area: 101 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: MEXRENOATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Mexrenoic acid, or mexrenoate, is a synthetic steroidal antimineralocorticoid which was never marketed.
Compound: Oxprenoate
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@]([C@](O)(CCC(=O)O)CC4)(C)CC3)[C@@H](C2)CCC)(C)CC1
InChIKey: DNHCHRGCTVRAFT-JEHIOXJOSA-N
Synonyms: Oxprenoate, 786592-95-8, UNII-2JGY63UVRO, 2JGY63UVRO, RU28318, 17-Hydroxy-3-oxo-7alpha-propyl-17alpha-pregn-4-ene-21-carboxylate, Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-7-propyl-,(7alpha,17alpha)-, 3-[(7R,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid, Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-7-propyl-, (7alpha,17alpha)-, Oxprenoic acid, GTPL3451, orb1740781, SCHEMBL6705626, CHEMBL2107003, DTXSID90229228, DNHCHRGCTVRAFT-JEHIOXJOSA-N, RU-28328, BRD-K37687387-237-01-7, Q27088646, 17-HYDROXY-3-OXO-7.ALPHA.-PROPYL-17.ALPHA.-PREGN-4-ENE-21-CARBOXYLATE, PREGN-4-ENE-21-CARBOXYLIC ACID, 17-HYDROXY-3-OXO-7-PROPYL-,(7.ALPHA.,17.ALPHA.)-, 3-[(1R,3aS,3bR,4R,9aR,9bS,11aS)-1-Hydroxy-9a,11a-dimethyl-7-oxo-4-propyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]propanoic acid
Theoretical properties:
molecular_formula: C25H38O4
molecular_weight: 402.6 g/mol
exact_mass: 402.27700969 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 29
topological_polar_surface_area: 74.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: OXPRENOATE POTASSIUM is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Oxprenoic acid, or oxprenoate, is a synthetic steroidal antimineralocorticoid which was never marketed.
SMILES: O=C1C=C2[C@]([C@@H]3C([C@H]4[C@]([C@](O)(CCC(=O)[O-])CC4)(C)CC3)C5[C@@H]2C5)(C)CC1
InChIKey: OHZWNMVYJJTNKU-WMYIPCHRSA-M
Theoretical properties:
Physical properties:
Descriptions:
Compound: 2,3,4-Pentanetrione
SMILES: O=C(C(=O)C)C(=O)C
InChIKey: MVDYEFQVZNBPPH-UHFFFAOYSA-N
Synonyms: 2,3,4-Pentanetrione, 921-11-9, 84GH569GKT, NSC-150286, DTXSID30238859, NSC 150286, RefChem:81298, DTXCID30161350, pentane-2,3,4-trione, CH3(CO)3CH3, 2,4-Pentanetrione, NSC150286, UNII-84GH569GKT, SCHEMBL556991, MVDYEFQVZNBPPH-UHFFFAOYSA-N, AKOS017514585
Theoretical properties:
molecular_formula: C5H6O3
molecular_weight: 114.10 g/mol
exact_mass: 114.031694049 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 8
topological_polar_surface_area: 51.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: 2,3,4-Pentanetrione (or IUPAC name pentane-2,3,4-trione, triketopentane or dimethyl triketone) is the simplest linear triketone, a ketone with three C=O groups.  It is an organic molecule with formula CH3COCOCOCH3.
Compound: METHYL PROPIOLATE
SMILES: O=C(OC)C#C
InChIKey: IMAKHNTVDGLIRY-UHFFFAOYSA-N
Synonyms: METHYL PROPIOLATE, Methyl propynoate, Propiolic acid, methyl ester, Propynoic acid methyl ester, methyl propargylate, methyl 2-propynoate, EINECS 213-083-5, BRN 0605462, T88NXO102K, AI3-37828, NSC-154164, UNII-T88NXO102K, methyl acetylenemonocarboxylate, (CARBOMETHOXY)ACETYLENE, (METHOXYCARBONYL)ACETYLENE, DTXSID60238923, 4-02-00-01688 (Beilstein Handbook Reference), RefChem:158010, DTXCID10161414, 7515-15-3, IMAKHNTVDGLIRY-UHFFFAOYSA-N, InChI=1/C4H4O2/c1-3-4(5)6-2/h1H,2H, 922-67-8, methyl prop-2-ynoate, Methyl acetylenecarboxylate, 2-Propynoic acid, methyl ester, Methyl ethynecarboxylate, MFCD00008572, Propynoic acid, methyl ester, Acetylenecarboxylic acid methyl ester, Methylpropiolate, Propiolic Acid Methyl Ester, NSC 154164, Propargylic Acid Methyl Ester, Methyl propiolate, 99%, propiolic acid methylester, SCHEMBL534, SCHEMBL968390, SCHEMBL4683308, SCHEMBL6965106, CHEMBL4086262, ALBB-008926, MSK162848, NSC154164, SBB049642, STK505661, AKOS000120024, FM07823, SB40750, BP-30045, CS-0022413, NS00039449, P0528, EN300-20478, P17723, F067148, doi:10.14272/IMAKHNTVDGLIRY-UHFFFAOYSA-N.1, F0001-2227, 27342-21-8
Theoretical properties:
molecular_formula: C4H4O2
molecular_weight: 84.07 g/mol
exact_mass: 84.021129366 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 6
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Methyl propiolate is an organic compound with the formula HC2CO2CH3.  It is the methyl ester of propiolic acid, the simplest acetylenic carboxylic acid.  It is a colorless liquid that is miscible with organic solvents.  The compound is a reagent and building block for the synthesis of other organic compounds, reactions that exploit the electrophilicity of the alkyne group.  For example it is a potent dienophile.  It has been widely evaluated as a precursor to heterocycles. including 1,3-dipolar cycloadditions.
Compound: Ethyl propiolate
SMILES: O=C(OCC)C#C
InChIKey: FMVJYQGSRWVMQV-UHFFFAOYSA-N
Synonyms: Ethyl propiolate, 623-47-2, ethyl prop-2-ynoate, Ethyl acetylenecarboxylate, ETHYL PROPYNOATE, (Ethoxycarbonyl)acetylene, W235G5U52S, NSC-60551, CHEBI:51740, DTXSID80211359, RefChem:596387, DTXCID30133850, 210-795-8, 2-Propynoic acid, ethyl ester, Ethyl 2-propynoate, Propiolic acid ethyl ester, ethyl propargylate, Propargylic Acid Ethyl Ester, MFCD00009184, Propynoic Acid Ethyl Ester, Propiolic acid, ethyl ester, 2-propynoic acid ethyl ester, 31762-50-2, UNII-W235G5U52S, ethyl propioloate, ethanol propiolate, ethyl propio late, ethyl propio-late, ethyl-2-propynate, EINECS 210-795-8, AI3-37704, Ethyl propiolate, 99%, CHEMBL53384, ETHYL PROPIOLATE [MI], SCHEMBL125800, prop-2-ynoic acid ethyl ester, SCHEMBL1387203, SCHEMBL7731787, ALBB-013040, NSC60551, STR01248, ETHYL ACETYLENEMONOCARBOXYLATE, BBL104247, EBC-13833, NSC 60551, SBB060344, STL197580, AKOS005173738, FE02350, DB-254734, CS-0015842, NS00035015, P0529, ST51046542, EN300-20562, F003001, Q27122726, F0001-1671, Z104478880
Theoretical properties:
molecular_formula: C5H6O2
molecular_weight: 98.10 g/mol
exact_mass: 98.036779430 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 7
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Ethyl propiolate is the ethyl ester of prop-2-ynoic acid. It is an ethyl ester, a ynoate ester and a terminal acetylenic compound.
chembl: PROPYNOIC ACID ETHYL ESTER is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Ethyl propiolate is an organic compound with the formula HC2CO2C2H5.  It is the ethyl ester of propiolic acid, the simplest acetylenic carboxylic acid.  It is a colorless liquid that is miscible with organic solvents.  The compound is a reagent and building block for the synthesis of other organic compounds, reactions that exploit the electrophilicity of the alkyne group.
Compound: 1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
SMILES: O1C2(C(C)C)CC=C(CCC=C(CCC(C1(CC2)C)O)C)C
InChIKey: SSBZLMMXFQMHDP-UHFFFAOYSA-N
Synonyms: 1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, CHEBI:193195, CID 73228441, (1R,2S,5E,9E,12S)-12-Isopropyl-1,5,9-Trimethyl-15-Oxabicyclo[10.2.1]Pentadeca-5,9-Dien-2-Ol
Theoretical properties:
molecular_formula: C20H34O2
molecular_weight: 306.5 g/mol
exact_mass: 306.255880323 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 22
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Incensole is a sesquiterpenoid.
wikipedia: Incensole is a C20 diterpene alcohol and biomarker for some plants of the Boswellia genus. It, along with its acetate ester incensole acetate, is an abundant component of frankincense, the resin collected from Boswellia trees. Incensole is used archaeologically to assist in identifying trade routes and distinguishing the identity of frankincense from other resins which may have been used together in incense and other salves. Incensole has also been deemed to be an active component in medicinal frankincense.
Compound: 2-Aminobenzaldehyde
SMILES: O=Cc1c(N)cccc1
InChIKey: FXWFZIRWWNPPOV-UHFFFAOYSA-N
Synonyms: 2-Aminobenzaldehyde, 529-23-7, o-Aminobenzaldehyde, Anthranilaldehyde, EG769PG2AX, Ortho aminobenzaldehyde, DTXSID6060183, RefChem:85363, DTXCID4041317, 208-454-3, Benzaldehyde, 2-amino-, 2-Formylaniline, MFCD00007709, 2-amino-benzaldehyde, aminobenzaldehyde, O-amino benzaldehyde, anthranil aldehyde, EINECS 208-454-3, m-Amino benzaldehyde, aniline, 2-formyl-, Ambroxol Impurity 43, AI3-52264, UNII-EG769PG2AX, 2-ABA, SCHEMBL25504, SCHEMBL25505, 2-Aminobenzaldehyde, >=98%, ghl.PD_Mitscher_leg0.1278, SCHEMBL10884849, SCHEMBL10897409, SCHEMBL14562109, SCHEMBL29776700, FXWFZIRWWNPPOV-UHFFFAOYSA-, BBL100092, SBB061591, STL280125, AKOS006221234, CS-W007486, FA71614, GS-3280, 29734-16-5, SY024955, DB-005184, NS00032615, ST51047883, EN300-118143, 10.14272/FXWFZIRWWNPPOV-UHFFFAOYSA-N.1, F036741, 2-Aminobenzaldehyde(Discontinued,See C4X-108543), doi:10.14272/FXWFZIRWWNPPOV-UHFFFAOYSA-N.1, Q21099244, 2-Formylaniline, Anthranilaldehyde, o-Aminobenzaldehyde, Z3034936011, InChI=1/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2
Theoretical properties:
molecular_formula: C7H7NO
molecular_weight: 121.14 g/mol
exact_mass: 121.052763847 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 9
topological_polar_surface_area: 43.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: 2-Aminobenzaldehyde is an organic compound with the formula C6H4(NH2)CHO.  It is one of three isomers of aminobenzaldehyde. It is a low-melting yellow solid that is soluble in water.
Compound: 4-Hydroxyquinoline
SMILES: O=c1c2c([nH]cc1)cccc2
InChIKey: PMZDQRJGMBOQBF-UHFFFAOYSA-N
Synonyms: 4-Hydroxyquinoline, Quinolin-4-ol, 611-36-9, 1H-quinolin-4-one, Kynurine, M1O131WXFO, DTXSID50209980, CHEBI:15815, RefChem:524086, DTXCID00132471, 210-268-2, 4-Quinolinol, quinolin-4(1H)-one, 4(1H)-Quinolinone, 529-37-3, 4-Quinolone, Quinoline, 4-hydroxy-, MFCD00006777, CCRIS 4329, 4-Chinolinol, NSC 3183, 1,4-dihydroquinolin-4-one, MFCD00956391, NSC-3183, NSC-263800, 4-hydroxy quinoline, NSC 263800; ?-Quinolone, 4-Oxoquinoline, 4(1H)-quinolone, EINECS 210-268-2, UNII-M1O131WXFO, BRN 1524969, quinoline-4-ol, 3kpu, 1,4-Dihydro-4-quinolinone; 1H-4-Oxoquinoline; 1H-Quinolin-4-one; 4-Quinolone;, 1H-quinoline-4one, 4-hydroxy-quinoline, 4-OXO-1,4-DIHYDROQUINOLINE, 4-Quinolinol, 98%, Quinolin-4(1H);-one, 1,4-Dihydro-4-quinolinone, Oprea1_521432, SCHEMBL10031, 4-Quinolinol (8CI,9CI), SCHEMBL128548, SCHEMBL128549, SCHEMBL223036, SCHEMBL223037, SCHEMBL442600, SCHEMBL993688, orb1303001, SCHEMBL1387648, SCHEMBL3353001, SCHEMBL3353907, SCHEMBL3356786, SCHEMBL5391951, SCHEMBL5776544, SCHEMBL5798064, SCHEMBL8114720, SCHEMBL8114871, SCHEMBL9383620, CHEMBL1232567, SCHEMBL25254110, BDBM14321, NSC3183, CHEBI:155900, KUC100207N, ALBB-019954, CS-D1012, AB4075, AC-516, EBC-76050, KUC100207, NSC263800, SBB086405, STL129466, STL445698, AKOS000277429, AKOS005738113, FH40512, PB43148, SB67475, AS-10846, DA-05172, HY-59208, SY002846, SY105850, DB-031602, EU-0033653, NS00034582, Q0029, ST50308193, EN300-54449, C06343, F050335, Q27098240, F0266-1090, Z818727120, InChI=1/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11
Theoretical properties:
molecular_formula: C9H7NO
molecular_weight: 145.16 g/mol
exact_mass: 145.052763847 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 11
topological_polar_surface_area: 29.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 4-quinolone is a quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4. It is a tautomer of a quinolin-4-ol.
chebi: A quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 4-Quinolone is an organic compound derived from quinoline.  It and 2-quinolone are the two most important parent (meaning simplified) quinolones.  4-Quinolone exists in equilibrium with a minor tautomer, 4-hydroxyquinoline (CAS#611-36-9).  Aside from pedagogical interest, 4-quinolone is of little intrinsic value but its derivatives, the 4-quinolone antibiotics, represent a large class of important drugs.
Compound: 1850-14-2
SMILES: O(C(OC)(OC)OC)C
InChIKey: AHJWSRRHTXRLAQ-UHFFFAOYSA-N
Synonyms: 1850-14-2, Tetramethyl orthocarbonate, EINECS 217-438-5, nsc 359558, DTXSID70171695, RefChem:897314, DTXCID2094186, 217-438-5, Tetramethoxymethane, Methane, tetramethoxy-, tetramethylorthocarbonate, MFCD00008473, FHC4GZ2SYJ, NSC-359558, orthocarbonic acid tetramethyl ester, dimethoxymethylal, tetramethoxy-methane, Tetramethyl Ester Orthocarbonic Acid; Dimethoxymethylal; NSC 359558; Tetramethoxymethane; Tetramethyl orthocarbonate, NSC359558, UNII-FHC4GZ2SYJ, tetramethyl ortho carbonate, SCHEMBL46522, SCHEMBL4557150, Tetramethyl orthocarbonate, 98%, BBL102643, GEO-02818, STL556446, AKOS015901252, MS-20474, SY015261, NS00047049, F20498, Tetramethyl orthocarbonate, purum, >=97.0% (GC), Q15632767, F1905-7134, InChI=1/C5H12O4/c1-6-5(7-2,8-3)9-4/h1-4H
Theoretical properties:
molecular_formula: C5H12O4
molecular_weight: 136.15 g/mol
exact_mass: 136.07355886 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 4
heavy_atom_count: 9
topological_polar_surface_area: 36.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: 1850 (MDCCCL) was a common year starting on Tuesday of the Gregorian calendar and a common year starting on Sunday of the Julian calendar, the 1850th year of the Common Era (CE) and Anno Domini (AD) designations, the 850th  year of the 2nd millennium, the 50th  year of the 19th century, and the  1st   year of the 1850s decade. As of the start of 1850, the Gregorian calendar was 12 days ahead of the Julian calendar, which remained in localized use until 1923.
Compound: Tetraethyl orthocarbonate
SMILES: O(C(OCC)(OCC)OCC)CC
InChIKey: CWLNAJYDRSIKJS-UHFFFAOYSA-N
Synonyms: Tetraethyl orthocarbonate, 78-09-1, Tetraethoxymethane, Ethane, 1,1',1'',1'''-[methanetetrayltetrakis(oxy)]tetrakis-, Orthocarbonic acid, tetraethyl ester, EINECS 201-082-2, NSC-28574, DTXSID1075278, W2P2570012, NSC 28574, Ethane, 1,1',1'',1'''-(methanetetrayltetrakis(oxy))tetrakis-, RefChem:896982, DTXCID1048097, 201-082-2, triethoxymethoxyethane, (triethoxymethoxy)ethane, Tetraethylorthocarbonate, MFCD00009221, TetraethylOrthocarbonate-d20, 1216440-54-8, orthocarbonic acid tetraethyl ester, 1,1',1'',1'''-[Methanetetrayltetrakis(oxy)]tetrakis-ethane; Orthocarbonic Acid Tetraethyl Ester; NSC 28574; Tetraethyl Orthocarbonate, triethoxymethoxy-ethane, Olodaterol Impurity 1, Tetra ethyl orthocarbonate, 1-(Triethoxymethoxy)ethane, SCHEMBL46525, 1-(Triethoxymethoxy)ethane #, Tetraethyl orthocarbonate, 97%, CWLNAJYDRSIKJS-UHFFFAOYSA-, UNII-W2P2570012, NSC28574, STL185702, AKOS015961970, FT38792, AS-11968, DB-056283, CS-0031801, NS00041010, EN300-99955, Tetraethoxymethane(Discontinued,See C4X-19431), F358476, Tetraethyl orthocarbonate, purum, >=97.0% (GC), Q15632766, Z1255485408, 1,1',1'',1'''-[Methanetetrayltetrakis(oxy)]tetrakis-ethane, Ethane,1',1'',1'''-[methanetetrayltetrakis(oxy)]tetrakis-, InChI=1/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3
Theoretical properties:
molecular_formula: C9H20O4
molecular_weight: 192.25 g/mol
exact_mass: 192.13615911 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 8
heavy_atom_count: 13
topological_polar_surface_area: 36.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Orthocarbonic acid (also known as methanetetrol) is a chemical compound with the chemical formula H4CO4 or C(OH)4. Its molecular structure consists of a single carbon atom bonded to four hydroxyl groups. It would be therefore a fourfold alcohol. In theory, it could lose four protons to give the hypothetical oxocarbon anion orthocarbonate CO4−4, and is therefore considered an oxoacid of carbon. 
Orthocarbonic acid is highly unstable and long held to be a hypothetical chemical compound. Calculations show that it decomposes into carbonic acid and water:

H4CO4 → H2CO3 + H2O
However, orthocarbonic acid was first synthesized in 2025 from the electron-irradiation of a frozen mixture of water and carbon dioxide and identified by mass spectrometry. 
Researchers predict that orthocarbonic acid is stable at high pressure; thus, it may form in the interior of the ice giant planets Uranus and Neptune, where water and methane are common.
SMILES: O=C1C=C2C=C[C@H]3[C@H]4[C@]([C@@](OC(=O)C)(C(=O)C)CC4)(C)CC[C@@H]3[C@H]2CC1
InChIKey: TUFRQQROGGMVOC-ZCPXKWAGSA-N
Theoretical properties:
molecular_formula: C22H28O4
molecular_weight: 356.5 g/mol
exact_mass: 356.19875937 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 26
topological_polar_surface_area: 60.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions: