Molecule ID: 519382

IUPAC Name: 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one

Description: The molecule is a methyl ketone in which the keto group is attached to a 2-(2,6,6-trimethylcyclohex-1-en-1-yl)ethyl group. It has a role as a member of oxidized luciferins. It is a methyl ketone and a Latia luciferin.

SMILES: CC(=O)CCC1=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/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 2.7