Molecule ID: 11344809

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

Description: The molecule is an apo carotenoid monoterpenoid that is alpha-ionone with a hydroxy substituent at position 3. It is an enone, a methyl ketone, a secondary alcohol and an apo carotenoid monoterpenoid. It derives from an alpha-ionone.

SMILES: CC(=O)/C=C/C1C(C)=CC(O)CC1(C)C

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

InChI: InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,11-12,15H,8H2,1-4H3/b6-5+

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 1.7