5-Methylhex-5-enenitrile
TL;DR: 5-Methylhex-5-enenitrile (CAS 50592-60-4) is a chemical compound with molecular formula C7H11N and molecular weight 109.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylhex-5-enenitrile
Also Known As: 5-Methylhex-5-enenitrile, 5-Methyl-5-hexenenitrile, 5-Methylenehexanenitrile, 5-Hexenenitrile,5-methyl-, 5-Methyl-hex-5-ennitril
| Molecular Formula | C7H11N |
|---|---|
| Molecular Weight | 109.09 g/mol |
| LogP | 2.25638 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 109.08915 |
| Heavy Atoms | 8 |
| Complexity | 108.045456 |
Chemical Identifiers
| CAS Number | 50592-60-4 |
|---|---|
| SMILES | CC(=C)CCCC#N |
Product Overview
5-Methylhex-5-enenitrile (CAS 50592-60-4), with molecular formula C7H11N and molecular weight 109.09 g/mol. IUPAC: 5-methylhex-5-enenitrile.
Chemical Property Profile of 5-Methylhex-5-enenitrile
Property Insights of 5-Methylhex-5-enenitrile
The XLogP value of 2.25638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylhex-5-enenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 5-Methylhex-5-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylhex-5-enenitrile 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
Frequently Asked Questions
What is the CAS number of 5-Methylhex-5-enenitrile?
The CAS number of 5-Methylhex-5-enenitrile is 50592-60-4.
What is the molecular formula of 5-Methylhex-5-enenitrile?
The molecular formula of 5-Methylhex-5-enenitrile is C7H11N.
What is the molecular weight of 5-Methylhex-5-enenitrile?
The molecular weight of 5-Methylhex-5-enenitrile is 109.09 g/mol.
Where can I buy 5-Methylhex-5-enenitrile?
You can request a quote for 5-Methylhex-5-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylhex-5-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylhex-5-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.