![[(E)-1-cyanohex-2-enyl] acetate structure](/static/products/112/112025-97-5.webp)
[(E)-1-cyanohex-2-enyl] acetate
TL;DR: [(E)-1-cyanohex-2-enyl] acetate (CAS 112025-97-5) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-1-cyanohex-2-enyl] acetate
Also Known As: 1-cyanohex-2-enyl acetate, (E)-2-Acetyloxy-3-heptenenitrile, [(E)-1-cyanohex-2-enyl] Acetate, (2E)-1-CYANOHEX-2-EN-1-YL ACETATE
Technical Specifications
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.09464 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 167.09464 Da |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
| SMILES | CCC/C=C/C(C#N)OC(=O)C |
| InChIKey | WSCFTHYTAXJTBK-AATRIKPKSA-N |
Chemical Property Profile of [(E)-1-cyanohex-2-enyl] acetate
Property Insights of [(E)-1-cyanohex-2-enyl] acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-1-cyanohex-2-enyl] acetate. With a topological polar surface area (TPSA) of 50.1 Ų, [(E)-1-cyanohex-2-enyl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(E)-1-cyanohex-2-enyl] acetate 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 [(E)-1-cyanohex-2-enyl] acetate?
The CAS number of [(E)-1-cyanohex-2-enyl] acetate is 112025-97-5.
What is the molecular formula of [(E)-1-cyanohex-2-enyl] acetate?
The molecular formula of [(E)-1-cyanohex-2-enyl] acetate is C9H13NO2.
What is the molecular weight of [(E)-1-cyanohex-2-enyl] acetate?
The molecular weight of [(E)-1-cyanohex-2-enyl] acetate is 167.09464 g/mol.
Where can I buy [(E)-1-cyanohex-2-enyl] acetate?
You can request a quote for [(E)-1-cyanohex-2-enyl] acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(E)-1-cyanohex-2-enyl] acetate?
Yes, CoreyChem provides custom synthesis services for [(E)-1-cyanohex-2-enyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.