![1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione structure](/static/products/1255/125591-37-9.webp)
1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione
TL;DR: 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione (CAS 125591-37-9) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione
Also Known As: 1,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione, Bicyclo(3.2.1)octane-2,4-dione, 1,8,8-trimethyl-, 1,8,8-Trimethylbicyclo(3.2.1)octane-2,4-dione, 5,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione, 1,8,8-Trimethyl-bicyclo[3.2.1]octane-2,4-dione
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.11504 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.11504 Da |
| Heavy Atoms | 13 |
| Complexity | 290.0 |
| SMILES | CC1(C2CCC1(C(=O)CC2=O)C)C |
| InChIKey | ZTIUZVPQAUZNLG-UHFFFAOYSA-N |
Chemical Property Profile of 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione
Property Insights of 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-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
What is the CAS number of 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione?
The CAS number of 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione is 125591-37-9.
What is the molecular formula of 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione?
The molecular formula of 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione is C11H16O2.
What is the molecular weight of 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione?
The molecular weight of 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione is 180.11504 g/mol.
Where can I buy 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione?
You can request a quote for 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.