BETA-THUJONE
PubChem ID
91456
Chemical Name
BETA-THUJONE
Molecular Formula
C10H16O
Canonical SMILES
CC1C2CC2(CC1=O)C(C)C
IUPAC Name
(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
Molecular Weight
152.237 g/mol
XLogP
2.3
Rotatable Bond Count
1
Lipinsky's Rule of Five
Yes
Sources
Ginger
