Molecule ID: 26613

IUPAC Name: 3-hydroxyoctanoic acid

Description: The molecule is an 8-carbon, beta-hydroxy fatty acid which may be a marker for primary defects of beta-hydroxy fatty acid metabolism. Repeating unit of poly(3-hydroxyoctanoic acid), a biopolymer used by numerous bacterial species as carbon and energy reserves. It is a 3-hydroxy monocarboxylic acid, a 3-hydroxy fatty acid and a medium-chain fatty acid. It derives from an octanoic acid. It is a conjugate acid of a 3-hydroxyoctanoate.

SMILES: CCCCCC(O)CC(=O)O

SELFIES: [C][C][C][C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 1.4