Molecule ID: 11509

IUPAC Name: hexan-3-one

Description: The molecule is a dialkyl ketone that is hexane in which the two methylene protons at position 3 have been replaced by an oxo group. It has a role as a human urinary metabolite, a human xenobiotic metabolite, an insect attractant, a plant metabolite and a bacterial xenobiotic metabolite. It derives from a hydride of a hexane.

SMILES: CCCC(=O)CC

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

InChI: InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 1.2