Ethyl 4-oxocyclohexanecarboxylate
TL;DR: Ethyl 4-oxocyclohexanecarboxylate (CAS 154055-56-8) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-oxocyclohexane-1-carboxylate
Also Known As: Ethyl 4-oxocyclohexanecarboxylate, ethyl 4-oxocyclohexane-1-carboxylate, Ethyl 4-Cyclohexanonecarboxylate, 4-(Ethoxycarbonyl)-1-cyclohexanone, 4-carboethoxycyclohexanone
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.0943 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.0943 Da |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
| SMILES | CCOC(=O)C1CCC(=O)CC1 |
| InChIKey | ZXYAWONOWHSQRU-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-oxocyclohexanecarboxylate
Property Insights of Ethyl 4-oxocyclohexanecarboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-oxocyclohexanecarboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4-oxocyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-oxocyclohexanecarboxylate has 0 hydrogen bond donor(s) and 3 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 4-oxocyclohexanecarboxylate?
The CAS number of Ethyl 4-oxocyclohexanecarboxylate is 154055-56-8.
What is the molecular formula of Ethyl 4-oxocyclohexanecarboxylate?
The molecular formula of Ethyl 4-oxocyclohexanecarboxylate is C9H14O3.
What is the molecular weight of Ethyl 4-oxocyclohexanecarboxylate?
The molecular weight of Ethyl 4-oxocyclohexanecarboxylate is 170.0943 g/mol.
Where can I buy Ethyl 4-oxocyclohexanecarboxylate?
You can request a quote for Ethyl 4-oxocyclohexanecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-oxocyclohexanecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-oxocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.