![4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione structure](/static/products/3161/31616-72-5.webp)
4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione
TL;DR: 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione (CAS 31616-72-5) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione
Also Known As: 4,6-dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione, 4,6-Dimethylbicyclo(3.3.1)nona-3,6-diene-2,8-dione, 8F-916, 2,8-dimethylbicyclo[3.3.1]nona-2,7-diene-4,6-dione
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 31616-72-5 |
|---|---|
| SMILES | CC1=CC(=O)C2CC1C(=CC2=O)C |
| InChIKey | LPQBNPGFILVZFQ-UHFFFAOYSA-N |
Product Overview
4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione (CAS 31616-72-5), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 4,6-dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione.
Chemical Property Profile of 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione
Property Insights of 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione has 0 hydrogen bond donor(s) and 2 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 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione?
The CAS number of 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione is 31616-72-5.
What is the molecular formula of 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione?
The molecular formula of 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione is C11H12O2.
What is the molecular weight of 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione?
The molecular weight of 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione is 176.08 g/mol.
Where can I buy 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione?
You can request a quote for 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethylbicyclo[3.3.1]nona-3,6-diene-2,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.