Molecule ID: 65724

IUPAC Name: (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one

Description: The molecule is a 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have R configuration. It is a component of Spanish verbena oil, from Verbena triphylla. It has a role as a plant metabolite. It is a terpenoid and a 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one. It is an enantiomer of a (S)-(-)-verbenone.

SMILES: CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C

SELFIES: [C][C][=C][C][=Branch1][C][=O][C@@H1][C][C@H1][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/t7-,8+/m1/s1

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