2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile
TL;DR: 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile (CAS 57576-15-5) is a chemical compound with molecular formula C11H17N and molecular weight 163.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6,6-trimethylcyclohexen-1-yl)acetonitrile
Also Known As: 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile, 1-Cyclohexene-1-acetonitrile, 2,6,6-trimethyl-, 2-(2,6,6-trimethylcyclohexen-1-yl)acetonitrile, (2,6,6-trimethylcyclohex-1-enyl)acetonitrile, (2,6,6-Trimethylcyclohex-1-en-1-yl)acetonitrile
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.1361 |
| Heavy Atoms | 12 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 57576-15-5 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CC#N |
| InChIKey | UYIKUHRHWRRKCH-UHFFFAOYSA-N |
Product Overview
2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile (CAS 57576-15-5), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: 2-(2,6,6-trimethylcyclohexen-1-yl)acetonitrile.
Chemical Property Profile of 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile
Property Insights of 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile 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 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile?
The CAS number of 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile is 57576-15-5.
What is the molecular formula of 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile?
The molecular formula of 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile is C11H17N.
What is the molecular weight of 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile?
The molecular weight of 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile is 163.14 g/mol.
Where can I buy 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile?
You can request a quote for 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6,6-Trimethyl-1-cyclohexene-1-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.