Molecule ID: 15694667

IUPAC Name: (2Z,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

Description: The molecule is an oxo monocarboxylic acid that is abscisic acid in which a hydroxymethyl group replaces the methyl substituent beta- to the keto group. It is an oxo monocarboxylic acid, a primary alcohol and a tertiary alcohol. It derives from a 2-cis-abscisic acid.

SMILES: CC(=C/C(=O)O)/C=C/C1(O)C(CO)=CC(=O)CC1(C)C

SELFIES: [C][C][=Branch1][#Branch1][=C][/C][=Branch1][C][=O][O][/C][=C][/C][Branch1][C][O][C][Branch1][Ring1][C][O][=C][C][=Branch1][C][=O][C][C][Ring1][#Branch2][Branch1][C][C][C]

InChI: InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 0.9