Methyl 4-methyl-2-oxocyclohexane-1-carboxylate
TL;DR: Methyl 4-methyl-2-oxocyclohexane-1-carboxylate (CAS 122801-17-6) 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.
methyl 4-methyl-2-oxocyclohexane-1-carboxylate
Also Known As: methyl 4-methyl-2-oxocyclohexane-1-carboxylate, methyl4-methyl-2-oxocyclohexane-1-carboxylate, methyl 4-methyl-2-oxocyclohexanecarboxylate, NCI60_005927, J1.097.912I
Technical Specifications
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.0943 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0943 Da |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
| SMILES | CC1CCC(C(=O)C1)C(=O)OC |
| InChIKey | HJVVHNOHVUFRKU-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-methyl-2-oxocyclohexane-1-carboxylate
Property Insights of Methyl 4-methyl-2-oxocyclohexane-1-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-methyl-2-oxocyclohexane-1-carboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-methyl-2-oxocyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-methyl-2-oxocyclohexane-1-carboxylate 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 Methyl 4-methyl-2-oxocyclohexane-1-carboxylate?
The CAS number of Methyl 4-methyl-2-oxocyclohexane-1-carboxylate is 122801-17-6.
What is the molecular formula of Methyl 4-methyl-2-oxocyclohexane-1-carboxylate?
The molecular formula of Methyl 4-methyl-2-oxocyclohexane-1-carboxylate is C9H14O3.
What is the molecular weight of Methyl 4-methyl-2-oxocyclohexane-1-carboxylate?
The molecular weight of Methyl 4-methyl-2-oxocyclohexane-1-carboxylate is 170.0943 g/mol.
Where can I buy Methyl 4-methyl-2-oxocyclohexane-1-carboxylate?
You can request a quote for Methyl 4-methyl-2-oxocyclohexane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-methyl-2-oxocyclohexane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-methyl-2-oxocyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.