Dimethyl diethylmalonate
TL;DR: Dimethyl diethylmalonate (CAS 27132-23-6) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2,2-diethylpropanedioate
Also Known As: Dimethyl diethylmalonate, Dimethyl 2,2-diethylmalonate, dimethyl 2,2-diethylpropanedioate, DimethylDiethylmalonate, Diethylmalonic Acid Dimethyl Ester
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.10486 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.10486 Da |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
| SMILES | CCC(CC)(C(=O)OC)C(=O)OC |
| InChIKey | AYBLPISRXMEMBV-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl diethylmalonate
Property Insights of Dimethyl diethylmalonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl diethylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl diethylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl diethylmalonate 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 Dimethyl diethylmalonate?
The CAS number of Dimethyl diethylmalonate is 27132-23-6.
What is the molecular formula of Dimethyl diethylmalonate?
The molecular formula of Dimethyl diethylmalonate is C9H16O4.
What is the molecular weight of Dimethyl diethylmalonate?
The molecular weight of Dimethyl diethylmalonate is 188.10486 g/mol.
Where can I buy Dimethyl diethylmalonate?
You can request a quote for Dimethyl diethylmalonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl diethylmalonate?
Yes, CoreyChem provides custom synthesis services for Dimethyl diethylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.