5-Hexenenitrile
TL;DR: 5-Hexenenitrile (CAS 5048-19-1) is a chemical compound with molecular formula C6H9N and molecular weight 95.0735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hex-5-enenitrile
Also Known As: 5-Hexenenitrile, hex-5-enenitrile, 4-Pentenyl cyanide, 5-Cyano-1-pentene, hex-1-ene-6-nitrile
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H9N |
| Molecular Weight | 95.0735 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 95.0735 Da |
| Heavy Atoms | 7 |
| Complexity | 85.0 |
| SMILES | C=CCCCC#N |
| InChIKey | UNAQSRLBVVDYGP-UHFFFAOYSA-N |
Chemical Property Profile of 5-Hexenenitrile
Property Insights of 5-Hexenenitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hexenenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 5-Hexenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hexenenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Hexenenitrile?
The CAS number of 5-Hexenenitrile is 5048-19-1.
What is the molecular formula of 5-Hexenenitrile?
The molecular formula of 5-Hexenenitrile is C6H9N.
What is the molecular weight of 5-Hexenenitrile?
The molecular weight of 5-Hexenenitrile is 95.0735 g/mol.
Where can I buy 5-Hexenenitrile?
You can request a quote for 5-Hexenenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Hexenenitrile?
Yes, CoreyChem provides custom synthesis services for 5-Hexenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.