Molecule ID: 12304609

IUPAC Name: (1R,3R,4S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol

Description: The molecule is a thujane monoterpenoid in which which a (1R,4S,5S)-thujane skeleton is substituted at C-3 with a hydroxy group, with the new asymmetric centre at C-3 having R-configuration. It is a thujane monoterpenoid and a secondary alcohol.

SMILES: CC(C)[C@@]12C[C@@H](O)[C@@H](C)[C@@H]1C2

SELFIES: [C][C][Branch1][C][C][C@@][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@@H1][Ring1][#Branch1][C][Ring1][Branch2]

InChI: InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+,10+/m0/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 2.6