Molecule ID: 33002

IUPAC Name: 11-methyldodecanoic acid

Description: The molecule is a branched-chain saturated fatty acid comprising dodecanoic (lauric) acid substituted at position 11 by a methyl group. It is a methyl-branched fatty acid, a branched-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an isotridecanoate.

SMILES: CC(C)CCCCCCCCCC(=O)O

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

InChI: InChI=1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 4.5