3-(Decyloxy)propionitrile
TL;DR: 3-(Decyloxy)propionitrile (CAS 16728-51-1) is a chemical compound with molecular formula C13H25NO and molecular weight 211.19362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-decoxypropanenitrile
Also Known As: 3-Decoxypropanenitrile, 3-(Decyloxy)propionitrile, 3-(Decyloxy)propiononitrile, 3-(decyloxy)propanenitrile, 3-Pentoxypropionitrile
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H25NO |
| Molecular Weight | 211.19362 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 211.19362 Da |
| Heavy Atoms | 15 |
| Complexity | 159.0 |
| SMILES | CCCCCCCCCCOCCC#N |
| InChIKey | VBBZORLTUCTLEO-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Decyloxy)propionitrile
Property Insights of 3-(Decyloxy)propionitrile
The XLogP value of 4.3 indicates that 3-(Decyloxy)propionitrile 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-(Decyloxy)propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Decyloxy)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-(Decyloxy)propionitrile?
The CAS number of 3-(Decyloxy)propionitrile is 16728-51-1.
What is the molecular formula of 3-(Decyloxy)propionitrile?
The molecular formula of 3-(Decyloxy)propionitrile is C13H25NO.
What is the molecular weight of 3-(Decyloxy)propionitrile?
The molecular weight of 3-(Decyloxy)propionitrile is 211.19362 g/mol.
Where can I buy 3-(Decyloxy)propionitrile?
You can request a quote for 3-(Decyloxy)propionitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Decyloxy)propionitrile?
Yes, CoreyChem provides custom synthesis services for 3-(Decyloxy)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.