Molecule ID: 246728

IUPAC Name: octan-3-one

Description: The molecule is a dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group.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, an insect attractant, a fungal metabolite, an antifeedant, a plant metabolite and a biomarker. It derives from a hydride of an octane.

SMILES: CCCCCC(=O)CC

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

InChI: InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 2.3