Molecule ID: 19006607

IUPAC Name: 11-methyldodecanoate

Description: The molecule is a methyl-branched fatty acid anion that is the conjugate base of isotridecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an isotridecanoic acid.

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-1]

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)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 5.9