3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile
TL;DR: 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile (CAS 858754-66-2) is a chemical compound with molecular formula C13H23NO and molecular weight 209.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethyloxan-4-yl)-4-methylpentanenitrile
Also Known As: 3-(2,2-dimethyloxan-4-yl)-4-methylpentanenitrile, 3-(2,2-dimethyloxan-4-yl)-4-methylpentaneni-trile, 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-methylpentanenitrile
| Molecular Formula | C13H23NO |
|---|---|
| Molecular Weight | 209.18 g/mol |
| LogP | 3.37748 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.17796 |
| Heavy Atoms | 15 |
| Complexity | 239.41074 |
Chemical Identifiers
| CAS Number | 858754-66-2 |
|---|---|
| SMILES | CC(C)C(CC#N)C1CCOC(C1)(C)C |
Product Overview
3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile (CAS 858754-66-2), with molecular formula C13H23NO and molecular weight 209.18 g/mol. IUPAC: 3-(2,2-dimethyloxan-4-yl)-4-methylpentanenitrile.
Chemical Property Profile of 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile
Property Insights of 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile
The XLogP value of 3.37748 indicates that 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile 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 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile?
The CAS number of 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile is 858754-66-2.
What is the molecular formula of 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile?
The molecular formula of 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile is C13H23NO.
What is the molecular weight of 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile?
The molecular weight of 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile is 209.18 g/mol.
Where can I buy 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile?
You can request a quote for 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-Dimethyloxan-4-yl)-4-methylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.