Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
TL;DR: Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate (CAS 4029-25-8) is a chemical compound with molecular formula C11H16O4 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate
Also Known As: ghl.PD_Mitscher_leg0.422, Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate, ethyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate, Ethyl 5,5-dimethylcyclohexane-1,3-dione-4-carboxylate, ethyl2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 4029-25-8 |
|---|---|
| SMILES | CCOC(=O)C1C(=O)CC(=O)CC1(C)C |
| InChIKey | JJDDNDUPYSEUHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate (CAS 4029-25-8), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: ethyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Property Insights of Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate. Following Lipinski's Rule of Five, Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate has 0 hydrogen bond donor(s) and 4 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 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
The CAS number of Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate is 4029-25-8.
What is the molecular formula of Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
The molecular formula of Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate is C11H16O4.
What is the molecular weight of Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
The molecular weight of Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate is 212.10 g/mol.
Where can I buy Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
You can request a quote for Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.