Molecule ID: 18407

IUPAC Name: 5-oxohexanoic acid

Description: The molecule is a medium-chain fatty acid comprising hexanoic acid carrying a 5-oxo group. It has a role as a bacterial xenobiotic metabolite. It is a 5-oxo monocarboxylic acid, an oxo fatty acid, a medium-chain fatty acid and a straight-chain fatty acid. It derives from a hexanoic acid. It is a conjugate acid of a 5-oxohexanoate.

SMILES: CC(=O)CCCC(=O)O

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

InChI: InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: -0.3