Molecule ID: 29025

IUPAC Name: 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one

Description: The molecule is a carbobicyclic compound that is bicyclo[3.1.1]heptane which is substituted by an oxo group at position 2 and by methyl groups at positions 4, 6 and 6, and which contains a double bond between positions 3 and 4. It is a carbobicyclic compound, a cyclic ketone and an enone.

SMILES: CC1=CC(=O)C2CC1C2(C)C

SELFIES: [C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][C][Ring1][Ring2][Branch1][C][C][C]

InChI: InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 1.6