2,2-Dimethylhexanenitrile
TL;DR: 2,2-Dimethylhexanenitrile (CAS 55897-65-9) is a chemical compound with molecular formula C8H15N and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylhexanenitrile
Also Known As: 2,2-dimethylhexanenitrile, 2,2-dimethylcapronitrile, 2,2-Dimethyl-hexannitril, Hexanenitrile, 2,2-dimethyl-, J3.753.204E
| Molecular Formula | C8H15N |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 2.72638 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 108.226265 |
Chemical Identifiers
| CAS Number | 55897-65-9 |
|---|---|
| SMILES | CCCCC(C)(C)C#N |
Product Overview
2,2-Dimethylhexanenitrile (CAS 55897-65-9), with molecular formula C8H15N and molecular weight 125.12 g/mol. IUPAC: 2,2-dimethylhexanenitrile.
Chemical Property Profile of 2,2-Dimethylhexanenitrile
Property Insights of 2,2-Dimethylhexanenitrile
The XLogP value of 2.72638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethylhexanenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2,2-Dimethylhexanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylhexanenitrile 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 2,2-Dimethylhexanenitrile?
The CAS number of 2,2-Dimethylhexanenitrile is 55897-65-9.
What is the molecular formula of 2,2-Dimethylhexanenitrile?
The molecular formula of 2,2-Dimethylhexanenitrile is C8H15N.
What is the molecular weight of 2,2-Dimethylhexanenitrile?
The molecular weight of 2,2-Dimethylhexanenitrile is 125.12 g/mol.
Where can I buy 2,2-Dimethylhexanenitrile?
You can request a quote for 2,2-Dimethylhexanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylhexanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylhexanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.