Diethyl butylidenepropanedioate
TL;DR: Diethyl butylidenepropanedioate (CAS 13978-70-6) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-butylidenepropanedioate
Also Known As: diethyl butylidenemalonate, diethyl butylidenepropanedioate, diethyl 2-butylidenepropanedioate, Butylidenemalonic acid diethyl ester, butylidene-malonic acid diethyl ester
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H18O4 |
| Molecular Weight | 214.12051 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 214.12051 Da |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
| SMILES | CCCC=C(C(=O)OCC)C(=O)OCC |
| InChIKey | HMTIRFYNPBFXRM-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl butylidenepropanedioate
Property Insights of Diethyl butylidenepropanedioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl butylidenepropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl butylidenepropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl butylidenepropanedioate 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 butylidenepropanedioate?
The CAS number of Diethyl butylidenepropanedioate is 13978-70-6.
What is the molecular formula of Diethyl butylidenepropanedioate?
The molecular formula of Diethyl butylidenepropanedioate is C11H18O4.
What is the molecular weight of Diethyl butylidenepropanedioate?
The molecular weight of Diethyl butylidenepropanedioate is 214.12051 g/mol.
Where can I buy Diethyl butylidenepropanedioate?
You can request a quote for Diethyl butylidenepropanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl butylidenepropanedioate?
Yes, CoreyChem provides custom synthesis services for Diethyl butylidenepropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.