Molecule ID: 51387508

IUPAC Name: 12-methyltridecanoate

Description: The molecule is a methyl-branched fatty acid anion that is the conjugate base of 12-methyltridecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a branched-chain saturated fatty acid anion, a fatty acid anion 14:0, a methyl-branched fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of an isomyristic acid.

SMILES: CC(C)CCCCCCCCCCC(=O)[O-]

SELFIES: [C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 5.6