Molecule ID: 379

IUPAC Name: octanoic acid

Description: The molecule is a straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. It has a role as an antibacterial agent, a human metabolite and an Escherichia coli metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an octanoate.

SMILES: CCCCCCCC(=O)O

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

InChI: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.0