Molecule ID: 86583447

IUPAC Name: (2S)-2-methylheptadecanoate

Description: The molecule is a 2-methyl fatty acid anion that is the conjugate base of (2S)-2-methyl-heptadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a 2-methyl fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a (2S)-2-methylheptadecanoic acid.

SMILES: CCCCCCCCCCCCCCC[C@H](C)C(=O)[O-]

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20/h17H,3-16H2,1-2H3,(H,19,20)/p-1/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 8.9