Compound: HEPTADECANE
SMILES: C(CCCCCCCC)CCCCCCCC
InChIKey: NDJKXXJCMXVBJW-UHFFFAOYSA-N
Synonyms: HEPTADECANE, n-Heptadecane, 629-78-7, H7C0J39XUM, DTXSID7047061, NSC-172782, DTXCID5027061, CHEBI:16148, RefChem:145618, 211-108-4, Heptadekan, MFCD00009002, Hexadecane, methyl-, Heptadecane, analytical standard, EINECS 211-108-4, C17H36, Heptadecane; NSC 172782; TS 7; n-Heptadecane, UNII-H7C0J39XUM, NSC 172782, BRN 1738898, AI3-36898, Heptadecane purum, Normal-heptadecane, PJ8, Heptadecane, 99%, SCHEMBL15829, SCHEMBL99494, SCHEMBL99618, 4-01-00-00548 (Beilstein Handbook Reference), SCHEMBL100536, SCHEMBL100733, SCHEMBL102589, SCHEMBL102975, SCHEMBL192207, SCHEMBL198680, SCHEMBL198883, SCHEMBL200178, SCHEMBL447716, orb3023253, orb3139917, SCHEMBL2945293, SCHEMBL3199000, SCHEMBL3697613, SCHEMBL3752213, SCHEMBL4641277, SCHEMBL7097960, SCHEMBL8986994, SCHEMBL8987016, SCHEMBL9801176, CHEMBL3185332, SCHEMBL10424515, SCHEMBL10580675, SCHEMBL14686428, SCHEMBL14686447, SCHEMBL14686456, SCHEMBL14686481, SCHEMBL14686501, SCHEMBL14686617, SCHEMBL14688398, SCHEMBL28616237, SCHEMBL29255527, SCHEMBL29255645, HSDB 8347, MSK3512, CH3-[CH2]15-CH3, Tox21_302278, LMFA11000003, MSK3512-100H, NSC172782, STL355860, AKOS000487450, HY-W131351, Heptadecane, purum, >=98.0% (GC), NCGC00256101-01, AS-56326, CAS-629-78-7, SY010355, DB-054356, CS-0197341, H0023, n-Heptadecane Solution in Hexane, 100ug/mL, NS00012511, C01816, D97702, F050361, Q150888, 43B472DE-3A6B-4855-8457-9D679B0D1C87, InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H
Theoretical properties:
molecular_formula: C17H36
molecular_weight: 240.5 g/mol
exact_mass: 240.281701148 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 14
heavy_atom_count: 17
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Hexagonal leaflets
color: Hexagonal leaflets
odor: Fuel-like
boiling_point: 575.2 °F at 760 mmHg (NTP, 1992)
melting_point: 72 °F (NTP, 1992)
density: 0.778 at 68 °F (NTP, 1992) - Less dense than water; will float
solubility: In water, 2.3X10-3 mg/L at 25 °C
flash_point: 149 °C (300 °F) - closed cup
vapor_pressure: 0.000228 [mmHg]
Descriptions:
pubchem: Heptadecane is a straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like Opuntia littoralis and Annona squamosa. It has a role as a volatile oil component and a plant metabolite.
chebi: A straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like <em>Opuntia littoralis</em> and <em>Annona squamosa</em>.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Heptadecane is an organic compound, an alkane hydrocarbon with the chemical formula C17H36. The name may refer to any of 24894 theoretically possible structural isomers, or to a mixture thereof.
The unbranched isomer is normal or n-heptadecane,  CH3(CH2)15CH3.  In the IUPAC nomenclature, the name of this compound is simply heptadecane, since the other isomers are viewed and named as alkyl-substituted versions of smaller alkanes.
The most compact and branched isomer would be tetra-tert-butylmethane, but its existence is believed to be impossible due to steric hindrance. Indeed, it is believed to be the smallest "impossible" alkane.