Molecule ID: 5371002

IUPAC Name: (E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

Description: The molecule is a methyl ketone that is alpha-ionone in which a hydrogen at position 5 of the cyclohex-2-en-1-yl ring is substituted by a methyl group. It is a methyl ketone and an enone. It derives from an alpha-ionone.

SMILES: CC(=O)/C=C/C1C(C)=CCC(C)C1(C)C

SELFIES: [C][C][=Branch1][C][=O][/C][=C][/C][C][Branch1][C][C][=C][C][C][Branch1][C][C][C][Ring1][Branch2][Branch1][C][C][C]

InChI: InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 3.2