Diethyl 2,2-dimethyl-3-oxopentanedioate
TL;DR: Diethyl 2,2-dimethyl-3-oxopentanedioate (CAS 858795-13-8) is a chemical compound with molecular formula C11H18O5 and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-dimethyl-3-oxopentanedioate
Also Known As: Diethyl 3-oxopimelate, Diethyl 3-oxoheptanedioate, diethyl 2,2-dimethyl-3-oxopentanedioate
| Molecular Formula | C11H18O5 |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 1.098 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 230.11542 |
| Heavy Atoms | 16 |
| Complexity | 280.09952 |
Chemical Identifiers
| CAS Number | 858795-13-8 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C(C)(C)C(=O)OCC |
Product Overview
Diethyl 2,2-dimethyl-3-oxopentanedioate (CAS 858795-13-8), with molecular formula C11H18O5 and molecular weight 230.12 g/mol. IUPAC: diethyl 2,2-dimethyl-3-oxopentanedioate.
Chemical Property Profile of Diethyl 2,2-dimethyl-3-oxopentanedioate
Property Insights of Diethyl 2,2-dimethyl-3-oxopentanedioate
The XLogP value of 1.098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2-dimethyl-3-oxopentanedioate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,2-dimethyl-3-oxopentanedioate. Following Lipinski's Rule of Five, Diethyl 2,2-dimethyl-3-oxopentanedioate has 0 hydrogen bond donor(s) and 5 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 2,2-dimethyl-3-oxopentanedioate?
The CAS number of Diethyl 2,2-dimethyl-3-oxopentanedioate is 858795-13-8.
What is the molecular formula of Diethyl 2,2-dimethyl-3-oxopentanedioate?
The molecular formula of Diethyl 2,2-dimethyl-3-oxopentanedioate is C11H18O5.
What is the molecular weight of Diethyl 2,2-dimethyl-3-oxopentanedioate?
The molecular weight of Diethyl 2,2-dimethyl-3-oxopentanedioate is 230.12 g/mol.
Where can I buy Diethyl 2,2-dimethyl-3-oxopentanedioate?
You can request a quote for Diethyl 2,2-dimethyl-3-oxopentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2-dimethyl-3-oxopentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2-dimethyl-3-oxopentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.