Diethyl 2-allyl-2-methylmalonate
TL;DR: Diethyl 2-allyl-2-methylmalonate (CAS 53651-72-2) 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 2-methyl-2-prop-2-enylpropanedioate
Also Known As: Diethyl 2-allyl-2-methylmalonate, 2-Allyl-2-methylmalonic Acid Eiethyl Ester, Diethyl Allylmethylmalonate, diethyl allyl(methyl)malonate, Diethyl2-allyl-2-methylmalonate
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 1.695 |
| 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 | 226.97247 |
Chemical Identifiers
| CAS Number | 53651-72-2 |
|---|---|
| SMILES | CCOC(=O)C(C)(CC=C)C(=O)OCC |
Product Overview
Diethyl 2-allyl-2-methylmalonate (CAS 53651-72-2), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: diethyl 2-methyl-2-prop-2-enylpropanedioate.
Chemical Property Profile of Diethyl 2-allyl-2-methylmalonate
Property Insights of Diethyl 2-allyl-2-methylmalonate
The XLogP value of 1.695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-allyl-2-methylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-allyl-2-methylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-allyl-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
Frequently Asked Questions
What is the CAS number of Diethyl 2-allyl-2-methylmalonate?
The CAS number of Diethyl 2-allyl-2-methylmalonate is 53651-72-2.
What is the molecular formula of Diethyl 2-allyl-2-methylmalonate?
The molecular formula of Diethyl 2-allyl-2-methylmalonate is C11H18O4.
What is the molecular weight of Diethyl 2-allyl-2-methylmalonate?
The molecular weight of Diethyl 2-allyl-2-methylmalonate is 214.12 g/mol.
Where can I buy Diethyl 2-allyl-2-methylmalonate?
You can request a quote for Diethyl 2-allyl-2-methylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-allyl-2-methylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-allyl-2-methylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.