Diethyl methyl(2-oxopropyl)malonate
TL;DR: Diethyl methyl(2-oxopropyl)malonate (CAS 128277-57-6) is a chemical compound with molecular formula C11H18O5 and molecular weight 230.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-methyl-2-(2-oxopropyl)propanedioate
Also Known As: diethyl methyl(2-oxopropyl)malonate, acetonyl-methyl-malonic acid diethyl ester, Methylacetonylmalonic acid diethyl ester, 2-acetonyl-2-methyl-malonic acid diethyl ester, diethyl 2-methyl-2-(2-oxopropyl)propanedioate
Technical Specifications
| Molecular Formula | C11H18O5 |
| Molecular Weight | 230.11542 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 230.11542 Da |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
| SMILES | CCOC(=O)C(C)(CC(=O)C)C(=O)OCC |
| InChIKey | CUEMGAXUPPOTHT-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl methyl(2-oxopropyl)malonate
Property Insights of Diethyl methyl(2-oxopropyl)malonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl methyl(2-oxopropyl)malonate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl methyl(2-oxopropyl)malonate. Following Lipinski's Rule of Five, Diethyl methyl(2-oxopropyl)malonate 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
What is the CAS number of Diethyl methyl(2-oxopropyl)malonate?
The CAS number of Diethyl methyl(2-oxopropyl)malonate is 128277-57-6.
What is the molecular formula of Diethyl methyl(2-oxopropyl)malonate?
The molecular formula of Diethyl methyl(2-oxopropyl)malonate is C11H18O5.
What is the molecular weight of Diethyl methyl(2-oxopropyl)malonate?
The molecular weight of Diethyl methyl(2-oxopropyl)malonate is 230.11542 g/mol.
Where can I buy Diethyl methyl(2-oxopropyl)malonate?
You can request a quote for Diethyl methyl(2-oxopropyl)malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl methyl(2-oxopropyl)malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl methyl(2-oxopropyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.