Molecule ID: 3017629

IUPAC Name: 3-methylundecanoic acid

Description: The molecule is a methyl-branched fatty acid that is undecanoic acid bearing a methyl substituent at position 3. It is a methyl-branched fatty acid, a branched-chain saturated fatty acid and a medium-chain fatty acid. It derives from an undecanoic acid. It is a conjugate acid of a 3-methylundecanoate.

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

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

InChI: InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-11(2)10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 4.8