Molecule ID: 159051

IUPAC Name: (1R,2S,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol

Description: The molecule is a cineole in which the 1,4-cineole skeleton is substituted at C-2 with a hydroxy group oriented exo (S configuration). It has a role as a human xenobiotic metabolite and a rat metabolite.

SMILES: CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](O)C2

SELFIES: [C][C][Branch1][C][C][C@@][C][C][C@@][Branch1][C][C][Branch1][Ring2][O][Ring1][=Branch1][C@@H1][Branch1][C][O][C][Ring1][=Branch2]

InChI: InChI=1S/C10H18O2/c1-7(2)10-5-4-9(3,12-10)8(11)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 1.5