![Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate structure](/static/products/1058/105881-97-8.webp)
Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate
TL;DR: Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate (CAS 105881-97-8) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.02,6]undec-8-ene-1-carboxylate
Also Known As: ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate, ethyl 1,3-dioxo-3,3a,7,7a-tetrahydro-4,7-ethano-2-benzofuran-4(1H)-carboxylate, ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0^{2,6}]undec-8-ene-1-carboxylate, ethyl 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-4,7-ethanoisobenzofuran-4-carboxylate
Technical Specifications
| Molecular Formula | C13H14O5 |
| Molecular Weight | 250.08412 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.08412 Da |
| Heavy Atoms | 18 |
| Complexity | 466.0 |
| SMILES | CCOC(=O)C12CCC(C=C1)C3C2C(=O)OC3=O |
| InChIKey | YUHKVFTVEJNHJO-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate
Property Insights of Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate?
The CAS number of Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate is 105881-97-8.
What is the molecular formula of Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate?
The molecular formula of Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate is C13H14O5.
What is the molecular weight of Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate?
The molecular weight of Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate is 250.08412 g/mol.
Where can I buy Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate?
You can request a quote for Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3,5-dioxo-4-oxatricyclo[5.2.2.0~2,6~]undec-8-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.