Diethyl 2-oxobutanedioate ion
TL;DR: Diethyl 2-oxobutanedioate ion (CAS 144509-65-9) is a chemical compound with molecular formula C8H11O5- and molecular weight 187.06065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-diethoxy-1,4-dioxobut-2-en-2-olate
Also Known As: diethyl 2-oxobutanedioate ion, 1-ethoxy-3-ethoxycarbonyl-3-oxo-prop-1-en-1-olate
Technical Specifications
| Molecular Formula | C8H11O5- |
| Molecular Weight | 187.06065 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 75.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 187.06065 Da |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
| SMILES | CCOC(=O)C=C(C(=O)OCC)[O-] |
| InChIKey | JILRCVQYCFULEY-UHFFFAOYSA-M |
Chemical Property Profile of Diethyl 2-oxobutanedioate ion
Property Insights of Diethyl 2-oxobutanedioate ion
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-oxobutanedioate ion. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-oxobutanedioate ion. Following Lipinski's Rule of Five, Diethyl 2-oxobutanedioate ion 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 2-oxobutanedioate ion?
The CAS number of Diethyl 2-oxobutanedioate ion is 144509-65-9.
What is the molecular formula of Diethyl 2-oxobutanedioate ion?
The molecular formula of Diethyl 2-oxobutanedioate ion is C8H11O5-.
What is the molecular weight of Diethyl 2-oxobutanedioate ion?
The molecular weight of Diethyl 2-oxobutanedioate ion is 187.06065 g/mol.
Where can I buy Diethyl 2-oxobutanedioate ion?
You can request a quote for Diethyl 2-oxobutanedioate ion directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-oxobutanedioate ion?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-oxobutanedioate ion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.