Molecule ID: 53740714

IUPAC Name: 12-methylpentadecanoic acid

Description: The molecule is a methyl-branched fatty acid that is pentadecanoic acid substituted by a methyl group at position 12. It has a role as a bacterial xenobiotic metabolite, a marine metabolite and a Caenorhabditis elegans metabolite. It is a methyl-branched fatty acid, a long-chain fatty acid and a saturated fatty acid.

SMILES: CCCC(C)CCCCCCCCCCC(=O)O

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

InChI: InChI=1S/C16H32O2/c1-3-12-15(2)13-10-8-6-4-5-7-9-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 6.1