Propane, 2-ethoxy-1-isocyano-2-methyl-
TL;DR: Propane, 2-ethoxy-1-isocyano-2-methyl- (CAS 136321-58-9) 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-ethoxy-1-isocyano-2-methylpropane
Also Known As: 2-ethoxy-1-isocyano-2-methylpropane, Propane, 2-ethoxy-1-isocyano-2-methyl-, 2-methyl-2-ethoxypropyl isocyanide, 2-ethoxy-1-isocyano-2-methyl-propane, Propane,2-ethoxy-1-isocyano-2-methyl
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
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 | 120.0 |
| SMILES | CCOC(C)(C)C[N+]#[C-] |
| InChIKey | ULELUOHUMQQRJX-UHFFFAOYSA-N |
Chemical Property Profile of Propane, 2-ethoxy-1-isocyano-2-methyl-
Property Insights of Propane, 2-ethoxy-1-isocyano-2-methyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propane, 2-ethoxy-1-isocyano-2-methyl-. With a topological polar surface area (TPSA) of 13.6 Ų, Propane, 2-ethoxy-1-isocyano-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propane, 2-ethoxy-1-isocyano-2-methyl- 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 Propane, 2-ethoxy-1-isocyano-2-methyl-?
The CAS number of Propane, 2-ethoxy-1-isocyano-2-methyl- is 136321-58-9.
What is the molecular formula of Propane, 2-ethoxy-1-isocyano-2-methyl-?
The molecular formula of Propane, 2-ethoxy-1-isocyano-2-methyl- is C7H13NO.
What is the molecular weight of Propane, 2-ethoxy-1-isocyano-2-methyl-?
The molecular weight of Propane, 2-ethoxy-1-isocyano-2-methyl- is 127.09972 g/mol.
Where can I buy Propane, 2-ethoxy-1-isocyano-2-methyl-?
You can request a quote for Propane, 2-ethoxy-1-isocyano-2-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propane, 2-ethoxy-1-isocyano-2-methyl-?
Yes, CoreyChem provides custom synthesis services for Propane, 2-ethoxy-1-isocyano-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.