Cyclohex-3-en-1-ylacetonitrile
TL;DR: Cyclohex-3-en-1-ylacetonitrile (CAS 35186-69-7) is a chemical compound with molecular formula C8H11N and molecular weight 121.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohex-3-en-1-ylacetonitrile
Also Known As: cyclohex-3-en-1-ylacetonitrile, (3-cyclohexenyl)acetonitrile, 2-cyclohex-3-en-1-ylacetonitrile, 3-Cyclohexene-1-acetonitrile, (Cyclohex-3-en-1-yl)acetonitrile
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 35186-69-7 |
|---|---|
| SMILES | C1CC(CC=C1)CC#N |
| InChIKey | DTAVQLQPRZSLID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohex-3-en-1-ylacetonitrile (CAS 35186-69-7), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 2-cyclohex-3-en-1-ylacetonitrile.
Chemical Property Profile of Cyclohex-3-en-1-ylacetonitrile
Property Insights of Cyclohex-3-en-1-ylacetonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohex-3-en-1-ylacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Cyclohex-3-en-1-ylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohex-3-en-1-ylacetonitrile 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 Cyclohex-3-en-1-ylacetonitrile?
The CAS number of Cyclohex-3-en-1-ylacetonitrile is 35186-69-7.
What is the molecular formula of Cyclohex-3-en-1-ylacetonitrile?
The molecular formula of Cyclohex-3-en-1-ylacetonitrile is C8H11N.
What is the molecular weight of Cyclohex-3-en-1-ylacetonitrile?
The molecular weight of Cyclohex-3-en-1-ylacetonitrile is 121.09 g/mol.
Where can I buy Cyclohex-3-en-1-ylacetonitrile?
You can request a quote for Cyclohex-3-en-1-ylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohex-3-en-1-ylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Cyclohex-3-en-1-ylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.