Molecule ID: 5282997

IUPAC Name: 3-oxohexadecanoic acid

Description: The molecule is an oxo-fatty acid comprising palmitic acid having an oxo group at the 3-position; an intermediate in fatty acid biosynthesis. It is a long-chain fatty acid and a 3-oxo fatty acid. It derives from a hexadecanoic acid.

SMILES: CCCCCCCCCCCCCC(=O)CC(=O)O

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

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

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 5.9