Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate
TL;DR: Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate (CAS 32767-46-7) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate
Also Known As: METHYL 4,4-DIMETHYL-2-OXOCYCLOHEXANECARBOXYLATE, methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate, ghl.PD_Mitscher_leg0.416, Methyl 4,4-dimethyl-2-oxocyclohexancarboxylate, Cyclohexanecarboxylic acid, 4,4-dimethyl-2-oxo-, methyl ester
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 1.5548 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 230.32436 |
Chemical Identifiers
| CAS Number | 32767-46-7 |
|---|---|
| SMILES | CC1(CCC(C(=O)C1)C(=O)OC)C |
Product Overview
Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate (CAS 32767-46-7), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate
Property Insights of Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate
The XLogP value of 1.5548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,4-dimethyl-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 4,4-dimethyl-2-oxocyclohexane-1-carboxylate?
The CAS number of Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate is 32767-46-7.
What is the molecular formula of Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate?
The molecular formula of Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate is C10H16O3.
What is the molecular weight of Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate?
The molecular weight of Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate is 184.11 g/mol.
Where can I buy Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate?
You can request a quote for Methyl 4,4-dimethyl-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 4,4-dimethyl-2-oxocyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.