2-(2-Isocyanoethoxy)propane
TL;DR: 2-(2-Isocyanoethoxy)propane (CAS 113790-14-0) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-isocyanoethoxy)propane
Also Known As: 2-(2-isocyanoethoxy)propane, TOS-BB-0840
Technical Specifications
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.08406 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 13.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 113.08406 Da |
| Heavy Atoms | 8 |
| Complexity | 89.0 |
| SMILES | CC(C)OCC[N+]#[C-] |
| InChIKey | CJDOVQZRMJWPGE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Isocyanoethoxy)propane
Property Insights of 2-(2-Isocyanoethoxy)propane
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Isocyanoethoxy)propane. With a topological polar surface area (TPSA) of 13.6 Ų, 2-(2-Isocyanoethoxy)propane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Isocyanoethoxy)propane 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-(2-Isocyanoethoxy)propane?
The CAS number of 2-(2-Isocyanoethoxy)propane is 113790-14-0.
What is the molecular formula of 2-(2-Isocyanoethoxy)propane?
The molecular formula of 2-(2-Isocyanoethoxy)propane is C6H11NO.
What is the molecular weight of 2-(2-Isocyanoethoxy)propane?
The molecular weight of 2-(2-Isocyanoethoxy)propane is 113.08406 g/mol.
Where can I buy 2-(2-Isocyanoethoxy)propane?
You can request a quote for 2-(2-Isocyanoethoxy)propane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Isocyanoethoxy)propane?
Yes, CoreyChem provides custom synthesis services for 2-(2-Isocyanoethoxy)propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.