Methyl 1-methyl-2-oxocyclohexane-1-carboxylate
TL;DR: Methyl 1-methyl-2-oxocyclohexane-1-carboxylate (CAS 89656-87-1) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-2-oxocyclohexane-1-carboxylate
Also Known As: methyl 1-methyl-2-oxocyclohexane-1-carboxylate, Methyl 1-methyl-2-oxocyclohexanecarboxylate, Methyl 1-methyl-2-oxo-cyclohexane-1-carboxylate, methyl 1-methyl-2-oxo-cyclohexanecarboxylate, J1.873.901A
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 89656-87-1 |
|---|---|
| SMILES | CC1(CCCCC1=O)C(=O)OC |
| InChIKey | XVOWMIBAOJEFIT-UHFFFAOYSA-N |
Product Overview
Methyl 1-methyl-2-oxocyclohexane-1-carboxylate (CAS 89656-87-1), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: methyl 1-methyl-2-oxocyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 1-methyl-2-oxocyclohexane-1-carboxylate
Property Insights of Methyl 1-methyl-2-oxocyclohexane-1-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-methyl-2-oxocyclohexane-1-carboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 1-methyl-2-oxocyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-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
Frequently Asked Questions
What is the CAS number of Methyl 1-methyl-2-oxocyclohexane-1-carboxylate?
The CAS number of Methyl 1-methyl-2-oxocyclohexane-1-carboxylate is 89656-87-1.
What is the molecular formula of Methyl 1-methyl-2-oxocyclohexane-1-carboxylate?
The molecular formula of Methyl 1-methyl-2-oxocyclohexane-1-carboxylate is C9H14O3.
What is the molecular weight of Methyl 1-methyl-2-oxocyclohexane-1-carboxylate?
The molecular weight of Methyl 1-methyl-2-oxocyclohexane-1-carboxylate is 170.09 g/mol.
Where can I buy Methyl 1-methyl-2-oxocyclohexane-1-carboxylate?
You can request a quote for Methyl 1-methyl-2-oxocyclohexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-methyl-2-oxocyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-methyl-2-oxocyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.