2-(Oxan-4-yl)acetonitrile
TL;DR: 2-(Oxan-4-yl)acetonitrile (CAS 1222781-70-5) is a chemical compound with molecular formula C7H11NO and molecular weight 125.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(oxan-4-yl)acetonitrile
Also Known As: 4-Cyanomethyltetrahydropyran, 2-(Tetrahydro-2H-pyran-4-yl)acetonitrile, 2-(oxan-4-yl)acetonitrile, -acetonitrile, tetrahydro-2H-pyran-4-ylacetonitrile
Technical Specifications
| Molecular Formula | C7H11NO |
| Molecular Weight | 125.08406 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.08406 Da |
| Heavy Atoms | 9 |
| Complexity | 118.0 |
| SMILES | C1COCCC1CC#N |
| InChIKey | IOWDVKYQRLPOLY-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Oxan-4-yl)acetonitrile
Property Insights of 2-(Oxan-4-yl)acetonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Oxan-4-yl)acetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(Oxan-4-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Oxan-4-yl)acetonitrile 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 2-(Oxan-4-yl)acetonitrile?
The CAS number of 2-(Oxan-4-yl)acetonitrile is 1222781-70-5.
What is the molecular formula of 2-(Oxan-4-yl)acetonitrile?
The molecular formula of 2-(Oxan-4-yl)acetonitrile is C7H11NO.
What is the molecular weight of 2-(Oxan-4-yl)acetonitrile?
The molecular weight of 2-(Oxan-4-yl)acetonitrile is 125.08406 g/mol.
Where can I buy 2-(Oxan-4-yl)acetonitrile?
You can request a quote for 2-(Oxan-4-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Oxan-4-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Oxan-4-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.