2-Hydroxy-4,6,6-trimethylheptanenitrile
TL;DR: 2-Hydroxy-4,6,6-trimethylheptanenitrile (CAS 63834-28-6) is a chemical compound with molecular formula C10H19NO and molecular weight 169.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-4,6,6-trimethylheptanenitrile
Also Known As: 2-Hydroxy-4,6,6-trimethylheptanenitrile, HEPTANENITRILE, 2-HYDROXY-4,6,6-TRIMETHYL-
Technical Specifications
| Molecular Formula | C10H19NO |
| Molecular Weight | 169.14667 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.14667 Da |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
| SMILES | CC(CC(C#N)O)CC(C)(C)C |
| InChIKey | ZNJCKHVAGVOTRE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hydroxy-4,6,6-trimethylheptanenitrile
Property Insights of 2-Hydroxy-4,6,6-trimethylheptanenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4,6,6-trimethylheptanenitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 2-Hydroxy-4,6,6-trimethylheptanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-4,6,6-trimethylheptanenitrile 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 2-Hydroxy-4,6,6-trimethylheptanenitrile?
The CAS number of 2-Hydroxy-4,6,6-trimethylheptanenitrile is 63834-28-6.
What is the molecular formula of 2-Hydroxy-4,6,6-trimethylheptanenitrile?
The molecular formula of 2-Hydroxy-4,6,6-trimethylheptanenitrile is C10H19NO.
What is the molecular weight of 2-Hydroxy-4,6,6-trimethylheptanenitrile?
The molecular weight of 2-Hydroxy-4,6,6-trimethylheptanenitrile is 169.14667 g/mol.
Where can I buy 2-Hydroxy-4,6,6-trimethylheptanenitrile?
You can request a quote for 2-Hydroxy-4,6,6-trimethylheptanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxy-4,6,6-trimethylheptanenitrile?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxy-4,6,6-trimethylheptanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.