Octyl isocyanate
TL;DR: Octyl isocyanate (CAS 3158-26-7) is a chemical compound with molecular formula C9H17NO and molecular weight 155.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-isocyanatooctane
Also Known As: Octyl isocyanate, 1-Isocyanatooctane, 1-Octyl isocyanate, Octylisocyanate, Octane, 1-isocyanato-
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H17NO |
| Molecular Weight | 155.13101 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 155.13101 Da |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
| SMILES | CCCCCCCCN=C=O |
| InChIKey | DYQFCTCUULUMTQ-UHFFFAOYSA-N |
Chemical Property Profile of Octyl isocyanate
Property Insights of Octyl isocyanate
The XLogP value of 4.4 indicates that Octyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, Octyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl isocyanate 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 Octyl isocyanate?
The CAS number of Octyl isocyanate is 3158-26-7.
What is the molecular formula of Octyl isocyanate?
The molecular formula of Octyl isocyanate is C9H17NO.
What is the molecular weight of Octyl isocyanate?
The molecular weight of Octyl isocyanate is 155.13101 g/mol.
Where can I buy Octyl isocyanate?
You can request a quote for Octyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyl isocyanate?
Yes, CoreyChem provides custom synthesis services for Octyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.