Molecule ID: 21859

IUPAC Name: 16-methylheptadecanoic acid

Description: The molecule is a methyl-branched fatty acid that is heptadecanoic acid (margaric acid) substituted by a methyl group at position 16. It is a branched-chain saturated fatty acid, a long-chain fatty acid and a methyl-branched fatty acid. It derives from a heptadecanoic acid.

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

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

InChI: InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 7.2