![1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione structure](/static/products/1061/106167-60-6.webp)
1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
TL;DR: 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione (CAS 106167-60-6) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-acetyl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Also Known As: 1-acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione, 1-acetyl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione, 1-acetyl-4-oxatricyclo[5.2.2.0?,?]undec-8-ene-3,5-dione, 1-acetyl-4-oxatricyclo[5.2.2.0^{2,6}]undec-8-ene-3,5-dione
Technical Specifications
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.07356 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.07356 Da |
| Heavy Atoms | 16 |
| Complexity | 436.0 |
| SMILES | CC(=O)C12CCC(C=C1)C3C2C(=O)OC3=O |
| InChIKey | KFLPXEJCCYFRLV-UHFFFAOYSA-N |
Chemical Property Profile of 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
Property Insights of 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione. Following Lipinski's Rule of Five, 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione has 0 hydrogen bond donor(s) and 4 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-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione?
The CAS number of 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione is 106167-60-6.
What is the molecular formula of 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione?
The molecular formula of 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione is C12H12O4.
What is the molecular weight of 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione?
The molecular weight of 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione is 220.07356 g/mol.
Where can I buy 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione?
You can request a quote for 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione?
Yes, CoreyChem provides custom synthesis services for 1-Acetyl-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.