Diethyl 3-ethoxypent-2-enedioate
TL;DR: Diethyl 3-ethoxypent-2-enedioate (CAS 127351-38-6) 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 3-ethoxypent-2-enedioate
Also Known As: diethyl 3-ethoxypent-2-enedioate, 3-ethoxy-pentenedioic acid diethyl ester
Technical Specifications
| Molecular Formula | C11H18O5 |
| Molecular Weight | 230.11542 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.11542 Da |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
| SMILES | CCOC(=CC(=O)OCC)CC(=O)OCC |
| InChIKey | ZMIVGRRLOZXCMK-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 3-ethoxypent-2-enedioate
Property Insights of Diethyl 3-ethoxypent-2-enedioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-ethoxypent-2-enedioate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-ethoxypent-2-enedioate. Following Lipinski's Rule of Five, Diethyl 3-ethoxypent-2-enedioate 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-ethoxypent-2-enedioate?
The CAS number of Diethyl 3-ethoxypent-2-enedioate is 127351-38-6.
What is the molecular formula of Diethyl 3-ethoxypent-2-enedioate?
The molecular formula of Diethyl 3-ethoxypent-2-enedioate is C11H18O5.
What is the molecular weight of Diethyl 3-ethoxypent-2-enedioate?
The molecular weight of Diethyl 3-ethoxypent-2-enedioate is 230.11542 g/mol.
Where can I buy Diethyl 3-ethoxypent-2-enedioate?
You can request a quote for Diethyl 3-ethoxypent-2-enedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 3-ethoxypent-2-enedioate?
Yes, CoreyChem provides custom synthesis services for Diethyl 3-ethoxypent-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.