triethyl (E)-prop-2-ene-1,1,3-tricarboxylate
TL;DR: triethyl (E)-prop-2-ene-1,1,3-tricarboxylate (CAS 121511-39-5) is a chemical compound with molecular formula C12H18O6 and molecular weight 258.11035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triethyl (E)-prop-2-ene-1,1,3-tricarboxylate
Also Known As: J2.059.012B, J2.241.948J, prop-2-ene-1,1,3-tricarboxylic acid triethyl ester, triethyl (E)-prop-2-ene-1,1,3-tricarboxylate, 1,3,3-triethyl prop-1-ene-1,3,3-tricarboxylate
Technical Specifications
| Molecular Formula | C12H18O6 |
| Molecular Weight | 258.11035 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 258.11035 Da |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
| SMILES | CCOC(=O)/C=C/C(C(=O)OCC)C(=O)OCC |
| InChIKey | UGIUHGDMHNICOP-BQYQJAHWSA-N |
Chemical Property Profile of triethyl (E)-prop-2-ene-1,1,3-tricarboxylate
Property Insights of triethyl (E)-prop-2-ene-1,1,3-tricarboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for triethyl (E)-prop-2-ene-1,1,3-tricarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for triethyl (E)-prop-2-ene-1,1,3-tricarboxylate. Following Lipinski's Rule of Five, triethyl (E)-prop-2-ene-1,1,3-tricarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of triethyl (E)-prop-2-ene-1,1,3-tricarboxylate?
The CAS number of triethyl (E)-prop-2-ene-1,1,3-tricarboxylate is 121511-39-5.
What is the molecular formula of triethyl (E)-prop-2-ene-1,1,3-tricarboxylate?
The molecular formula of triethyl (E)-prop-2-ene-1,1,3-tricarboxylate is C12H18O6.
What is the molecular weight of triethyl (E)-prop-2-ene-1,1,3-tricarboxylate?
The molecular weight of triethyl (E)-prop-2-ene-1,1,3-tricarboxylate is 258.11035 g/mol.
Where can I buy triethyl (E)-prop-2-ene-1,1,3-tricarboxylate?
You can request a quote for triethyl (E)-prop-2-ene-1,1,3-tricarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for triethyl (E)-prop-2-ene-1,1,3-tricarboxylate?
Yes, CoreyChem provides custom synthesis services for triethyl (E)-prop-2-ene-1,1,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.