Diethyl (3-oxopropyl)malonate
TL;DR: Diethyl (3-oxopropyl)malonate (CAS 19515-61-8) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.09978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-(3-oxopropyl)propanedioate
Also Known As: diethyl 2-(3-oxopropyl)malonate, Diethyl (3-oxopropyl)malonate, 2-(3-Oxopropyl)-, diethyl(3-oxopropyl)malonate, diethyl 2-(3-oxopropyl)propanedioate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16O5 |
| Molecular Weight | 216.09978 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.09978 Da |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
| SMILES | CCOC(=O)C(CCC=O)C(=O)OCC |
| InChIKey | FGQNJWQEVPVFIN-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl (3-oxopropyl)malonate
Property Insights of Diethyl (3-oxopropyl)malonate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (3-oxopropyl)malonate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (3-oxopropyl)malonate. Following Lipinski's Rule of Five, Diethyl (3-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 (3-oxopropyl)malonate?
The CAS number of Diethyl (3-oxopropyl)malonate is 19515-61-8.
What is the molecular formula of Diethyl (3-oxopropyl)malonate?
The molecular formula of Diethyl (3-oxopropyl)malonate is C10H16O5.
What is the molecular weight of Diethyl (3-oxopropyl)malonate?
The molecular weight of Diethyl (3-oxopropyl)malonate is 216.09978 g/mol.
Where can I buy Diethyl (3-oxopropyl)malonate?
You can request a quote for Diethyl (3-oxopropyl)malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl (3-oxopropyl)malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl (3-oxopropyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.