Molecule ID: 9862

IUPAC Name: 6-methylhept-5-en-2-one

Description: The molecule is a heptenone that is hept-5-en-2-one substituted by a methyl group at position 6. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil. It has a role as an alarm pheromone, a volatile oil component and a plant metabolite. It is a methyl ketone and a heptenone.

SMILES: CC(=O)CCC=C(C)C

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

InChI: InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 1.9