Molecule ID: 101712280

IUPAC Name: (1R,2R,5S,6S,7R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol

Description: The molecule is an organic heterotricyclic compound and sesquiterpenoid that is 11-oxatricyclo[5.3.1.0(2,6)]undecan-8-ol which is substituted by methyl groups at positions 2 and 8, and by an isopropyl group at position 5. The absolute stereochemistry is not known; it is either 1R,2R,5S,6S,7R,8R (as shown), or the enantiomer. It is an organic heterotricyclic compound, a sesquiterpenoid, a tertiary alcohol and a cyclic ether.

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

SELFIES: [C][C][Branch1][C][C][C@@H1][C][C][C@][Branch1][C][C][C@H1][Ring1][=Branch1][C@H1][O][C@@H1][Ring1][=Branch1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][O]

InChI: InChI=1S/C15H26O2/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(17-11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 3.2