Ethyl 4-methyl-2-oxocyclohexanecarboxylate
TL;DR: Ethyl 4-methyl-2-oxocyclohexanecarboxylate (CAS 13537-82-1) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methyl-2-oxocyclohexane-1-carboxylate
Also Known As: Ethyl 4-methyl-2-oxocyclohexanecarboxylate, Ethyl 4-methyl-2-cyclohexanone-1-carboxylate, ethyl 4-methyl-2-oxocyclohexane-1-carboxylate, 2-CARBETHOXY-5-METHYLCYCLOHEXANONE, AI3-18159
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16O3 |
| Molecular Weight | 184.10994 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.10994 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | CCOC(=O)C1CCC(CC1=O)C |
| InChIKey | FFVHHWOJYFCNJP-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-methyl-2-oxocyclohexanecarboxylate
Property Insights of Ethyl 4-methyl-2-oxocyclohexanecarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methyl-2-oxocyclohexanecarboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4-methyl-2-oxocyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-methyl-2-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-methyl-2-oxocyclohexanecarboxylate?
The CAS number of Ethyl 4-methyl-2-oxocyclohexanecarboxylate is 13537-82-1.
What is the molecular formula of Ethyl 4-methyl-2-oxocyclohexanecarboxylate?
The molecular formula of Ethyl 4-methyl-2-oxocyclohexanecarboxylate is C10H16O3.
What is the molecular weight of Ethyl 4-methyl-2-oxocyclohexanecarboxylate?
The molecular weight of Ethyl 4-methyl-2-oxocyclohexanecarboxylate is 184.10994 g/mol.
Where can I buy Ethyl 4-methyl-2-oxocyclohexanecarboxylate?
You can request a quote for Ethyl 4-methyl-2-oxocyclohexanecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-methyl-2-oxocyclohexanecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-methyl-2-oxocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.