6-Cyano-1-hexanol
TL;DR: 6-Cyano-1-hexanol (CAS 17976-80-6) 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.
7-hydroxyheptanenitrile
Also Known As: 7-Hydroxyheptanenitrile, 6-Cyano-1-hexanol, Heptanenitrile, 7-hydroxy-, 7-Hydroxyheptane-1-nitrile, omega-Cyano-1-hexanol
Application Areas
Top 5 of 8 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) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 127.09972 Da |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
| SMILES | C(CCCO)CCC#N |
| InChIKey | XAZAHJGDOHGFBV-UHFFFAOYSA-N |
Chemical Property Profile of 6-Cyano-1-hexanol
Property Insights of 6-Cyano-1-hexanol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Cyano-1-hexanol. With a topological polar surface area (TPSA) of 44.0 Ų, 6-Cyano-1-hexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Cyano-1-hexanol has 1 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 6-Cyano-1-hexanol?
The CAS number of 6-Cyano-1-hexanol is 17976-80-6.
What is the molecular formula of 6-Cyano-1-hexanol?
The molecular formula of 6-Cyano-1-hexanol is C7H13NO.
What is the molecular weight of 6-Cyano-1-hexanol?
The molecular weight of 6-Cyano-1-hexanol is 127.09972 g/mol.
Where can I buy 6-Cyano-1-hexanol?
You can request a quote for 6-Cyano-1-hexanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Cyano-1-hexanol?
Yes, CoreyChem provides custom synthesis services for 6-Cyano-1-hexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.