2-Methyl-5-hexenenitrile
TL;DR: 2-Methyl-5-hexenenitrile (CAS 30316-00-8) 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.
2-methylhex-5-enenitrile
Also Known As: 2-methylhex-5-enenitrile, 2-Methyl-5-hexenenitrile, 5-Hexenenitrile, 2-methyl-, starbld0030430, 2-Methyl-5-hexenenitrile #
| Molecular Formula | C7H11N |
|---|---|
| Molecular Weight | 109.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 109.08915 |
| Heavy Atoms | 8 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 30316-00-8 |
|---|---|
| SMILES | CC(CCC=C)C#N |
| InChIKey | WSLQODBTEPJISE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-hexenenitrile (CAS 30316-00-8), with molecular formula C7H11N and molecular weight 109.09 g/mol. IUPAC: 2-methylhex-5-enenitrile.
Chemical Property Profile of 2-Methyl-5-hexenenitrile
Property Insights of 2-Methyl-5-hexenenitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-hexenenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Methyl-5-hexenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-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
Frequently Asked Questions
What is the CAS number of 2-Methyl-5-hexenenitrile?
The CAS number of 2-Methyl-5-hexenenitrile is 30316-00-8.
What is the molecular formula of 2-Methyl-5-hexenenitrile?
The molecular formula of 2-Methyl-5-hexenenitrile is C7H11N.
What is the molecular weight of 2-Methyl-5-hexenenitrile?
The molecular weight of 2-Methyl-5-hexenenitrile is 109.09 g/mol.
Where can I buy 2-Methyl-5-hexenenitrile?
You can request a quote for 2-Methyl-5-hexenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-hexenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-hexenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.