2-Methoxyisobutyl isonitrile
TL;DR: 2-Methoxyisobutyl isonitrile (CAS 109434-22-2) is a chemical compound with molecular formula CC(C)(C[N+]#[C-])OC and molecular weight 113.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-isocyano-2-methoxy-2-methylpropane
Also Known As: Sestamibi, 2-Methoxyisobutylisonitrile, MIBI, 1-isocyano-2-methoxy-2-methylpropane, 2-methoxyisobutyl isonitrile
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CC(C)(C[N+]#[C-])OC |
| Molecular Weight | 113.08406 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 13.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.08406 Da |
| Heavy Atoms | 8 |
| Complexity | 109.0 |
| SMILES | CC(C)(C[N+]#[C-])OC |
| InChIKey | LJJFNFYPZOHRHM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methoxyisobutyl isonitrile
Property Insights of 2-Methoxyisobutyl isonitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyisobutyl isonitrile. With a topological polar surface area (TPSA) of 13.6 Ų, 2-Methoxyisobutyl isonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxyisobutyl isonitrile 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-Methoxyisobutyl isonitrile?
The CAS number of 2-Methoxyisobutyl isonitrile is 109434-22-2.
What is the molecular formula of 2-Methoxyisobutyl isonitrile?
The molecular formula of 2-Methoxyisobutyl isonitrile is CC(C)(C[N+]#[C-])OC.
What is the molecular weight of 2-Methoxyisobutyl isonitrile?
The molecular weight of 2-Methoxyisobutyl isonitrile is 113.08406 g/mol.
Where can I buy 2-Methoxyisobutyl isonitrile?
You can request a quote for 2-Methoxyisobutyl isonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methoxyisobutyl isonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Methoxyisobutyl isonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.