ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate
TL;DR: ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate (CAS 125500-84-7) 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.
ethyl (2Z)-2-(ethoxymethylidene)-3-oxohexanoate
Also Known As: ethyl 2-butyryl-3-ethoxyacrylate, ethyl 2-(ethoxymethylidene)-3-oxohexanoate, ethyl (2Z)-2-(ethoxymethylidene)-3-oxohexanoate, ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate, Hexanoic acid,2-(ethoxymethylene)-3-oxo-,ethyl ester
Technical Specifications
| Molecular Formula | C11H18O4 |
| Molecular Weight | 214.12051 g/mol |
| XLogP | 1.8 |
| 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 | 243.0 |
| SMILES | CCCC(=O)/C(=C/OCC)/C(=O)OCC |
| InChIKey | LECIVGGFOMFFFQ-HJWRWDBZSA-N |
Chemical Property Profile of ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate
Property Insights of ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate. With a topological polar surface area (TPSA) of 52.6 Ų, ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate 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 ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate?
The CAS number of ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate is 125500-84-7.
What is the molecular formula of ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate?
The molecular formula of ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate is C11H18O4.
What is the molecular weight of ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate?
The molecular weight of ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate is 214.12051 g/mol.
Where can I buy ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate?
You can request a quote for ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate?
Yes, CoreyChem provides custom synthesis services for ethyl (2Z)-2-butanoyl-3-ethoxyprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.