Molecule ID: 5282996

IUPAC Name: 2-oxohexadecanoic acid

Description: The molecule is a oxo fatty acid that is the 2-oxo derivative of palmitic (hexadecanoic) acid. It is an oxo fatty acid, a long-chain fatty acid and a straight-chain fatty acid. It derives from a hexadecanoic acid.

SMILES: CCCCCCCCCCCCCCC(=O)C(=O)O

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

InChI: InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h2-14H2,1H3,(H,18,19)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 6.5