Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene-
TL;DR: Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene- (CAS 67801-22-3) 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-(2,2-dimethyl-6-methylidenecyclohexyl)acetonitrile
Also Known As: 2,2-Dimethyl-6-methylenecyclohexaneacetonitrile, Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene-, (2,2-dimethyl-6-methylenecyclohexyl)acetonitrile, 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetonitrile, (2,2-dimethyl-6-methylidenecyclohexyl)acetonitrile
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 2.7 |
| 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 | 229.0 |
Chemical Identifiers
| CAS Number | 67801-22-3 |
|---|---|
| SMILES | CC1(CCCC(=C)C1CC#N)C |
| InChIKey | NLSLGTHGRIYBME-UHFFFAOYSA-N |
Product Overview
Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene- (CAS 67801-22-3), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: 2-(2,2-dimethyl-6-methylidenecyclohexyl)acetonitrile.
Chemical Property Profile of Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene-
Property Insights of Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene-. With a topological polar surface area (TPSA) of 23.8 Ų, Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene- 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 Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene-?
The CAS number of Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene- is 67801-22-3.
What is the molecular formula of Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene-?
The molecular formula of Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene- is C11H17N.
What is the molecular weight of Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene-?
The molecular weight of Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene- is 163.14 g/mol.
Where can I buy Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene-?
You can request a quote for Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexaneacetonitrile, 2,2-dimethyl-6-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.