3-((2-Ethylhexyl)oxy)propionitrile
TL;DR: 3-((2-Ethylhexyl)oxy)propionitrile (CAS 10213-75-9) is a chemical compound with molecular formula C11H21NO and molecular weight 183.16231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-ethylhexoxy)propanenitrile
Also Known As: 3-((2-Ethylhexyl)oxy)propionitrile, 3-(2-ethylhexoxy)propanenitrile, 3-(2-Ethylhexyloxy)propionitrile, 3-(2-Ethylhexyloxy)propannitril, 3-[(2-Ethylhexyl)oxy]propanenitrile
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H21NO |
| Molecular Weight | 183.16231 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 183.16231 Da |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CCCCC(CC)COCCC#N |
| InChIKey | HXBFULVLSKAGSQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-((2-Ethylhexyl)oxy)propionitrile
Property Insights of 3-((2-Ethylhexyl)oxy)propionitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Ethylhexyl)oxy)propionitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 3-((2-Ethylhexyl)oxy)propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-Ethylhexyl)oxy)propionitrile 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
What is the CAS number of 3-((2-Ethylhexyl)oxy)propionitrile?
The CAS number of 3-((2-Ethylhexyl)oxy)propionitrile is 10213-75-9.
What is the molecular formula of 3-((2-Ethylhexyl)oxy)propionitrile?
The molecular formula of 3-((2-Ethylhexyl)oxy)propionitrile is C11H21NO.
What is the molecular weight of 3-((2-Ethylhexyl)oxy)propionitrile?
The molecular weight of 3-((2-Ethylhexyl)oxy)propionitrile is 183.16231 g/mol.
Where can I buy 3-((2-Ethylhexyl)oxy)propionitrile?
You can request a quote for 3-((2-Ethylhexyl)oxy)propionitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((2-Ethylhexyl)oxy)propionitrile?
Yes, CoreyChem provides custom synthesis services for 3-((2-Ethylhexyl)oxy)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.