incensole acetate

Ligand id: 4220

Name: incensole acetate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 35.53
Molecular weight 348.27
XLogP 5.32
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1,5,9-trimethyl-12-(propan-2-yl)-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl acetate
Database Links
CAS Registry No. 34701-53-6 (source: Scifinder)
PubChem CID 73755086
Search Google for chemical match using the InChIKey HVBACKJYWZTKCA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HVBACKJYWZTKCA
Search UniChem for chemical match using the InChIKey HVBACKJYWZTKCA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HVBACKJYWZTKCA