BETA-IONONE
PubChem ID
638014
Chemical Name
BETA-IONONE
Molecular Formula
C13H20O
Canonical SMILES
CC1=C(C(CCC1)(C)C)C=CC(=O)C
IUPAC Name
(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
Molecular Weight
192.302 g/mol
XLogP
2.9
Rotatable Bond Count
2
Lipinsky's Rule of Five
Yes
Sources
Ginger
