tert-butyl (E)-2-cyano-4-methylpent-2-enoate
TL;DR: tert-butyl (E)-2-cyano-4-methylpent-2-enoate (CAS 119018-04-1) is a chemical compound with molecular formula C11H17NO2 and molecular weight 195.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (E)-2-cyano-4-methylpent-2-enoate
Also Known As: 1,1-diamino-2,2-dicyanoethylene, tert-butyl 2-cyano-4-methylpent-2-enoate, tert-butyl (E)-2-cyano-4-methylpent-2-enoate
Technical Specifications
| Molecular Formula | C11H17NO2 |
| Molecular Weight | 195.12593 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.12593 Da |
| Heavy Atoms | 14 |
| Complexity | 286.0 |
| SMILES | CC(C)/C=C(\C#N)/C(=O)OC(C)(C)C |
| InChIKey | IJJLFZPABPVCGQ-RMKNXTFCSA-N |
Chemical Property Profile of tert-butyl (E)-2-cyano-4-methylpent-2-enoate
Property Insights of tert-butyl (E)-2-cyano-4-methylpent-2-enoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (E)-2-cyano-4-methylpent-2-enoate. With a topological polar surface area (TPSA) of 50.1 Ų, tert-butyl (E)-2-cyano-4-methylpent-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl (E)-2-cyano-4-methylpent-2-enoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-butyl (E)-2-cyano-4-methylpent-2-enoate?
The CAS number of tert-butyl (E)-2-cyano-4-methylpent-2-enoate is 119018-04-1.
What is the molecular formula of tert-butyl (E)-2-cyano-4-methylpent-2-enoate?
The molecular formula of tert-butyl (E)-2-cyano-4-methylpent-2-enoate is C11H17NO2.
What is the molecular weight of tert-butyl (E)-2-cyano-4-methylpent-2-enoate?
The molecular weight of tert-butyl (E)-2-cyano-4-methylpent-2-enoate is 195.12593 g/mol.
Where can I buy tert-butyl (E)-2-cyano-4-methylpent-2-enoate?
You can request a quote for tert-butyl (E)-2-cyano-4-methylpent-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-butyl (E)-2-cyano-4-methylpent-2-enoate?
Yes, CoreyChem provides custom synthesis services for tert-butyl (E)-2-cyano-4-methylpent-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.