Molecule ID: 5282604

IUPAC Name: 20-methyldocosanoic acid

Description: The molecule is a methyl-branched fatty acid that is docosanoic acid (behenic acid) substituted by a methyl group at position 20. It is a branched-chain saturated fatty acid, a long-chain fatty acid and a methyl-branched fatty acid. It derives from a docosanoic acid.

SMILES: CCC(C)CCCCCCCCCCCCCCCCCCC(=O)O

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

InChI: InChI=1S/C23H46O2/c1-3-22(2)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23(24)25/h22H,3-21H2,1-2H3,(H,24,25)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 10.6