Molecule ID: 20186846

IUPAC Name: 3-methylundecanoate

Description: The molecule is a 3-methyl fatty acid anion that is the conjugate base of 3-methylundecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a 3-methyl fatty acid anion, a medium-chain fatty acid anion and a fatty acid anion 12:0. It is a conjugate base of a 3-methylundecanoic acid.

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-1]

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)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 5.5