Diethyl 2-Isopentyl-2-methylmalonate
TL;DR: Diethyl 2-Isopentyl-2-methylmalonate (CAS 14370-78-6) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.16747 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-methyl-2-(3-methylbutyl)propanedioate
Also Known As: Diethyl 2-Isopentyl-2-methylmalonate, zlchem 675, diethyl 2-methyl-2-(3-methylbutyl)propanedioate, diethyl methyl(3-methylbutyl)malonate, Diethyl methyl(3-methylbutyl)propanedioate
Technical Specifications
| Molecular Formula | C13H24O4 |
| Molecular Weight | 244.16747 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 244.16747 Da |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
| SMILES | CCOC(=O)C(C)(CCC(C)C)C(=O)OCC |
| InChIKey | LFMBZEGLMSBWHG-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-Isopentyl-2-methylmalonate
Property Insights of Diethyl 2-Isopentyl-2-methylmalonate
The XLogP value of 3.5 indicates that Diethyl 2-Isopentyl-2-methylmalonate 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 2-Isopentyl-2-methylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-Isopentyl-2-methylmalonate 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
What is the CAS number of Diethyl 2-Isopentyl-2-methylmalonate?
The CAS number of Diethyl 2-Isopentyl-2-methylmalonate is 14370-78-6.
What is the molecular formula of Diethyl 2-Isopentyl-2-methylmalonate?
The molecular formula of Diethyl 2-Isopentyl-2-methylmalonate is C13H24O4.
What is the molecular weight of Diethyl 2-Isopentyl-2-methylmalonate?
The molecular weight of Diethyl 2-Isopentyl-2-methylmalonate is 244.16747 g/mol.
Where can I buy Diethyl 2-Isopentyl-2-methylmalonate?
You can request a quote for Diethyl 2-Isopentyl-2-methylmalonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-Isopentyl-2-methylmalonate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-Isopentyl-2-methylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.