Molecule ID: 12304217

IUPAC Name: (1S,4S,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-ol

Description: The molecule is a sesquiterpenoid consisting of octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol carrying two additional methyl substituents at positions 3 and 7 as well as an isopropyl substituent at position 4 (the 3S,3aS,3bS,4R,7S,7aS diastereomer). It is a sesquiterpenoid, a tertiary alcohol and a carbotricyclic compound.

SMILES: CC(C)[C@H]1CC[C@H](C)[C@]23CC[C@](C)(O)[C@H]2[C@H]13

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

InChI: InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 3.9