5-Methyl-3-oxohexanenitrile
TL;DR: 5-Methyl-3-oxohexanenitrile (CAS 50966-69-3) is a chemical compound with molecular formula C7H11NO and molecular weight 125.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-oxohexanenitrile
Also Known As: 5-methyl-3-oxohexanenitrile, Cyanopinacolin, omega-Cyanpinakolin, 3-Oxo-5-methylhexanenitrile, 5-Methyl-3-oxo-hexannitril
| Molecular Formula | C7H11NO |
|---|---|
| Molecular Weight | 125.08 g/mol |
| LogP | 1.51528 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 125.08406 |
| Heavy Atoms | 9 |
| Complexity | 132.3418 |
Chemical Identifiers
| CAS Number | 50966-69-3 |
|---|---|
| SMILES | CC(C)CC(=O)CC#N |
Product Overview
5-Methyl-3-oxohexanenitrile (CAS 50966-69-3), with molecular formula C7H11NO and molecular weight 125.08 g/mol. IUPAC: 5-methyl-3-oxohexanenitrile.
Chemical Property Profile of 5-Methyl-3-oxohexanenitrile
Property Insights of 5-Methyl-3-oxohexanenitrile
The XLogP value of 1.51528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-oxohexanenitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 5-Methyl-3-oxohexanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-oxohexanenitrile has 0 hydrogen bond donor(s) and 2 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 5-Methyl-3-oxohexanenitrile?
The CAS number of 5-Methyl-3-oxohexanenitrile is 50966-69-3.
What is the molecular formula of 5-Methyl-3-oxohexanenitrile?
The molecular formula of 5-Methyl-3-oxohexanenitrile is C7H11NO.
What is the molecular weight of 5-Methyl-3-oxohexanenitrile?
The molecular weight of 5-Methyl-3-oxohexanenitrile is 125.08 g/mol.
Where can I buy 5-Methyl-3-oxohexanenitrile?
You can request a quote for 5-Methyl-3-oxohexanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-oxohexanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-oxohexanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.