Molecule ID: 4488499

IUPAC Name: 6-hydroxy-3-prop-1-en-2-ylheptanoic acid

Description: The molecule is a branched-chain hydroxy fatty acid consisting of heptanoic acid with an isopropenyl group at the 3-position and the hydroxy group at the 6-position. It is a hydroxy fatty acid, a medium-chain fatty acid and a branched-chain fatty acid. It is a conjugate acid of a 6-hydroxy-3-isopropenylheptanoate.

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]

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)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 1.7