Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato
TL;DR: Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato (CAS 6642-39-3) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
Also Known As: Ethyl 2,6-dimethyl-4-oxocyclohex-2-enecarboxylate, ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate, 4-Carbethoxy-3,5-diMethyl-2-cyclohexene-1-one, ethyl 2,6-dimethyl-4-oxo-2-cyclohexene-1-carboxylate, J2.224.809J
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 6642-39-3 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(=O)C=C1C)C |
| InChIKey | FMQHLVMBLLFWPK-UHFFFAOYSA-N |
Product Overview
Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato (CAS 6642-39-3), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate.
Chemical Property Profile of Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato
Property Insights of Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato 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 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato?
The CAS number of Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato is 6642-39-3.
What is the molecular formula of Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato?
The molecular formula of Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato is C11H16O3.
What is the molecular weight of Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato?
The molecular weight of Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato is 196.11 g/mol.
Where can I buy Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato?
You can request a quote for Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.