1-Cyano-4-(5-hexenyl)benzene
TL;DR: 1-Cyano-4-(5-hexenyl)benzene (CAS 142779-16-6) is a chemical compound with molecular formula C13H15N and molecular weight 185.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hex-5-enylbenzonitrile
Also Known As: 4-(5-Hexenyl)benzonitrile, 4-hex-5-enylbenzonitrile, 1-Cyano-4-(5-hexenyl)benzene, 4-(hex-5-en-1-yl)benzonitrile, 4-(5-Hexenyl)benzonitrile #
Technical Specifications
| Molecular Formula | C13H15N |
| Molecular Weight | 185.12045 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 185.12045 Da |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
| SMILES | C=CCCCCC1=CC=C(C=C1)C#N |
| InChIKey | FMYDJPHTBGDCJH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Cyano-4-(5-hexenyl)benzene
Property Insights of 1-Cyano-4-(5-hexenyl)benzene
The XLogP value of 4.1 indicates that 1-Cyano-4-(5-hexenyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-Cyano-4-(5-hexenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-4-(5-hexenyl)benzene 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 1-Cyano-4-(5-hexenyl)benzene?
The CAS number of 1-Cyano-4-(5-hexenyl)benzene is 142779-16-6.
What is the molecular formula of 1-Cyano-4-(5-hexenyl)benzene?
The molecular formula of 1-Cyano-4-(5-hexenyl)benzene is C13H15N.
What is the molecular weight of 1-Cyano-4-(5-hexenyl)benzene?
The molecular weight of 1-Cyano-4-(5-hexenyl)benzene is 185.12045 g/mol.
Where can I buy 1-Cyano-4-(5-hexenyl)benzene?
You can request a quote for 1-Cyano-4-(5-hexenyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Cyano-4-(5-hexenyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Cyano-4-(5-hexenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.