![3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile structure](/static/products/6847/68479-06-1.webp)
3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile
TL;DR: 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile (CAS 68479-06-1) is a chemical compound with molecular formula C16H31NO and molecular weight 253.24057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(8-ethyl-5-methyldecan-3-yl)oxypropanenitrile
Also Known As: 3-Tridecyloxypropanenitrile, 3-[(8-ethyl-5-methyldecan-3-yl)oxy]propanenitrile, EC 270-853-3, 3-(8-ethyl-5-methyldecan-3-yl)oxypropanenitrile, Propanenitrile, 3-(tridecyloxy)-, branched and linear
Technical Specifications
| Molecular Formula | C16H31NO |
| Molecular Weight | 253.24057 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 253.24057 Da |
| Heavy Atoms | 18 |
| Complexity | 226.0 |
| SMILES | CCC(CC)CCC(C)CC(CC)OCCC#N |
| InChIKey | RDJHCPHGTDLKEZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile
Property Insights of 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile
The XLogP value of 5.4 indicates that 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile?
The CAS number of 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile is 68479-06-1.
What is the molecular formula of 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile?
The molecular formula of 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile is C16H31NO.
What is the molecular weight of 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile?
The molecular weight of 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile is 253.24057 g/mol.
Where can I buy 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile?
You can request a quote for 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-[(8-Ethyl-5-methyldecan-3-yl)oxy]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.