2-(2-Isocyanoethoxy)-2-methylpropane
TL;DR: 2-(2-Isocyanoethoxy)-2-methylpropane (CAS 1313807-04-3) is a chemical compound with molecular formula C7H13NO and molecular weight 127.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-isocyanoethoxy)-2-methylpropane
Also Known As: 2-(2-isocyanoethoxy)-2-methylpropane, 2-tert-butoxyethyl isocyanide, TOS-BB-0839
Technical Specifications
| Molecular Formula | C7H13NO |
| Molecular Weight | 127.09972 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 13.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.09972 Da |
| Heavy Atoms | 9 |
| Complexity | 115.0 |
| SMILES | CC(C)(C)OCC[N+]#[C-] |
| InChIKey | LOPSGASRLSDPSD-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Isocyanoethoxy)-2-methylpropane
Property Insights of 2-(2-Isocyanoethoxy)-2-methylpropane
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Isocyanoethoxy)-2-methylpropane. With a topological polar surface area (TPSA) of 13.6 Ų, 2-(2-Isocyanoethoxy)-2-methylpropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Isocyanoethoxy)-2-methylpropane 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)-2-methylpropane?
The CAS number of 2-(2-Isocyanoethoxy)-2-methylpropane is 1313807-04-3.
What is the molecular formula of 2-(2-Isocyanoethoxy)-2-methylpropane?
The molecular formula of 2-(2-Isocyanoethoxy)-2-methylpropane is C7H13NO.
What is the molecular weight of 2-(2-Isocyanoethoxy)-2-methylpropane?
The molecular weight of 2-(2-Isocyanoethoxy)-2-methylpropane is 127.09972 g/mol.
Where can I buy 2-(2-Isocyanoethoxy)-2-methylpropane?
You can request a quote for 2-(2-Isocyanoethoxy)-2-methylpropane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Isocyanoethoxy)-2-methylpropane?
Yes, CoreyChem provides custom synthesis services for 2-(2-Isocyanoethoxy)-2-methylpropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.