Molecule ID: 5312887

IUPAC Name: 2-oxododecanoic acid

Description: The molecule is an oxo fatty acid that is dodecanoic acid (lauric acid) which is substituted at position 2 by an oxo group. It is an oxo fatty acid, a ketone, a 2-oxo monocarboxylic acid and a medium-chain fatty acid. It is a conjugate acid of a 2-oxododecanoate. It is a tautomer of a 2-hydroxydodec-2-enoic acid.

SMILES: CCCCCCCCCCC(=O)C(=O)O

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

InChI: InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h2-10H2,1H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 4.3