Diethyl 3-methylcyclobutane-1,1-dicarboxylate
TL;DR: Diethyl 3-methylcyclobutane-1,1-dicarboxylate (CAS 21054-65-9) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methylcyclobutane-1,1-dicarboxylate
Also Known As: diethyl 3-methylcyclobutane-1,1-dicarboxylate, starbld0019541, 1,1-DIETHYL 3-METHYLCYCLOBUTANE-1,1-DICARBOXYLATE, Diethyl-3-methylcyclobutan-1,1-dicarboxylat, 1,1-Cyclobutanedicarboxylic acid, 3-methyl-, 1,1-diethyl ester
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 21054-65-9 |
|---|---|
| SMILES | CCOC(=O)C1(CC(C1)C)C(=O)OCC |
| InChIKey | CLSYQNLJGWLNKH-UHFFFAOYSA-N |
Product Overview
Diethyl 3-methylcyclobutane-1,1-dicarboxylate (CAS 21054-65-9), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: diethyl 3-methylcyclobutane-1,1-dicarboxylate.
Chemical Property Profile of Diethyl 3-methylcyclobutane-1,1-dicarboxylate
Property Insights of Diethyl 3-methylcyclobutane-1,1-dicarboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-methylcyclobutane-1,1-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 3-methylcyclobutane-1,1-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 3-methylcyclobutane-1,1-dicarboxylate 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 Diethyl 3-methylcyclobutane-1,1-dicarboxylate?
The CAS number of Diethyl 3-methylcyclobutane-1,1-dicarboxylate is 21054-65-9.
What is the molecular formula of Diethyl 3-methylcyclobutane-1,1-dicarboxylate?
The molecular formula of Diethyl 3-methylcyclobutane-1,1-dicarboxylate is C11H18O4.
What is the molecular weight of Diethyl 3-methylcyclobutane-1,1-dicarboxylate?
The molecular weight of Diethyl 3-methylcyclobutane-1,1-dicarboxylate is 214.12 g/mol.
Where can I buy Diethyl 3-methylcyclobutane-1,1-dicarboxylate?
You can request a quote for Diethyl 3-methylcyclobutane-1,1-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-methylcyclobutane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-methylcyclobutane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.