Molecule ID: 638014

IUPAC Name: (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

Description: The molecule is an ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. It has a role as an antioxidant and a fragrance.

SMILES: CC(=O)/C=C/C1=C(C)CCCC1(C)C

SELFIES: [C][C][=Branch1][C][=O][/C][=C][/C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C]

InChI: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 2.9