Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)
TL;DR: Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers) (CAS 3419-32-7) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylate
Also Known As: ethyl 6-methyl-2-oxocyclohex-3-enecarboxylate, Ethyl 3-Methyl-5-cyclohexen-1-one-2-carboxylate, ethyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylate, Ethyl 6-methyl-2-oxo-3-cyclohexene-1-carboxylate, CFQIYLYEYJYZEO-UHFFFAOYSA-
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 3419-32-7 |
|---|---|
| SMILES | CCOC(=O)C1C(CC=CC1=O)C |
| InChIKey | CFQIYLYEYJYZEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers) (CAS 3419-32-7), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: ethyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)
Property Insights of Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers). With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers) 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 Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)?
The CAS number of Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers) is 3419-32-7.
What is the molecular formula of Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)?
The molecular formula of Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers) is C10H14O3.
What is the molecular weight of Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)?
The molecular weight of Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers) is 182.09 g/mol.
Where can I buy Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)?
You can request a quote for Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.