Diethyl ethyl(1-methylbutyl)malonate
TL;DR: Diethyl ethyl(1-methylbutyl)malonate (CAS 76-72-2) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-ethyl-2-pentan-2-ylpropanedioate
Also Known As: Diethyl ethyl(1-methylbutyl)malonate, Malonic acid, diethyl ester, Diethyl 2-ethyl-2-(pentan-2-yl)malonate, diethyl ethyl(pentan-2-yl)malonate, ETHYL 2-ETHYL-2-(1-METHYLBUTYL)MALONATE
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 76-72-2 |
|---|---|
| SMILES | CCCC(C)C(CC)(C(=O)OCC)C(=O)OCC |
| InChIKey | ZQGOJSLHZOKIBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl ethyl(1-methylbutyl)malonate (CAS 76-72-2), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: diethyl 2-ethyl-2-pentan-2-ylpropanedioate.
Chemical Property Profile of Diethyl ethyl(1-methylbutyl)malonate
Property Insights of Diethyl ethyl(1-methylbutyl)malonate
The XLogP value of 4.0 indicates that Diethyl ethyl(1-methylbutyl)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl ethyl(1-methylbutyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl ethyl(1-methylbutyl)malonate 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 ethyl(1-methylbutyl)malonate?
The CAS number of Diethyl ethyl(1-methylbutyl)malonate is 76-72-2.
What is the molecular formula of Diethyl ethyl(1-methylbutyl)malonate?
The molecular formula of Diethyl ethyl(1-methylbutyl)malonate is C14H26O4.
What is the molecular weight of Diethyl ethyl(1-methylbutyl)malonate?
The molecular weight of Diethyl ethyl(1-methylbutyl)malonate is 258.18 g/mol.
Where can I buy Diethyl ethyl(1-methylbutyl)malonate?
You can request a quote for Diethyl ethyl(1-methylbutyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ethyl(1-methylbutyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ethyl(1-methylbutyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.