Molecule ID: 4488498

IUPAC Name: 6-hydroxy-3-prop-1-en-2-ylheptanoate

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of 6-hydroxy-3-isopropenylheptanoic acid, arising from deprotonation of the carboxy group. Product of the hydrolysis of 4-isopropenyl-7-methyloxepan-2-one. It is a hydroxy fatty acid anion and a branched-chain fatty acid anion. It is a conjugate base of a 6-hydroxy-3-isopropenylheptanoic acid.

SMILES: C=C(C)C(CCC(C)O)CC(=O)[O-]

SELFIES: [C][=C][Branch1][C][C][C][Branch1][Branch2][C][C][C][Branch1][C][C][O][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 2.4