Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl-
TL;DR: Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl- (CAS 52557-25-2) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethylbicyclo[3.1.1]hept-2-en-6-one
Also Known As: Apochrysanthenone, 7,7-dimethylbicyclo[3.1.1]hept-2-en-6-one, Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl-, 6,6-dimethylbicyclo[3.1.1]hept-3-en-7-one, 7,7-dimethylbicyclo[3.1.1]hept-3-en-6-one
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 52557-25-2 |
|---|---|
| SMILES | CC1(C2CC=CC1C2=O)C |
| InChIKey | OIRZSFZDNOTQGM-UHFFFAOYSA-N |
Product Overview
Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl- (CAS 52557-25-2), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 7,7-dimethylbicyclo[3.1.1]hept-2-en-6-one.
Chemical Property Profile of Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl-
Property Insights of Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl-?
The CAS number of Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl- is 52557-25-2.
What is the molecular formula of Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl-?
The molecular formula of Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl- is C9H12O.
What is the molecular weight of Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl-?
The molecular weight of Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl- is 136.09 g/mol.
Where can I buy Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl-?
You can request a quote for Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(3.1.1)hept-2-en-6-one, 7,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.