Octanenitrile, 7-hydroxy-3,7-dimethyl-
TL;DR: Octanenitrile, 7-hydroxy-3,7-dimethyl- (CAS 68797-68-2) is a chemical compound with molecular formula C10H19NO and molecular weight 169.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-3,7-dimethyloctanenitrile
Also Known As: 7-Hydroxy-3,7-dimethyloctanenitrile, Octanenitrile, 7-hydroxy-3,7-dimethyl-, 7-Hydroxy-3,7-dimethyloctan-1-nitrile, 272-309-0, EINECS 272-309-0
| Molecular Formula | C10H19NO |
|---|---|
| Molecular Weight | 169.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 169.14667 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 68797-68-2 |
|---|---|
| SMILES | CC(CCCC(C)(C)O)CC#N |
| InChIKey | UQHYGZPJERPFLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanenitrile, 7-hydroxy-3,7-dimethyl- (CAS 68797-68-2), with molecular formula C10H19NO and molecular weight 169.15 g/mol. IUPAC: 7-hydroxy-3,7-dimethyloctanenitrile.
Chemical Property Profile of Octanenitrile, 7-hydroxy-3,7-dimethyl-
Property Insights of Octanenitrile, 7-hydroxy-3,7-dimethyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanenitrile, 7-hydroxy-3,7-dimethyl-. With a topological polar surface area (TPSA) of 44.0 Ų, Octanenitrile, 7-hydroxy-3,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanenitrile, 7-hydroxy-3,7-dimethyl- 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
Frequently Asked Questions
What is the CAS number of Octanenitrile, 7-hydroxy-3,7-dimethyl-?
The CAS number of Octanenitrile, 7-hydroxy-3,7-dimethyl- is 68797-68-2.
What is the molecular formula of Octanenitrile, 7-hydroxy-3,7-dimethyl-?
The molecular formula of Octanenitrile, 7-hydroxy-3,7-dimethyl- is C10H19NO.
What is the molecular weight of Octanenitrile, 7-hydroxy-3,7-dimethyl-?
The molecular weight of Octanenitrile, 7-hydroxy-3,7-dimethyl- is 169.15 g/mol.
Where can I buy Octanenitrile, 7-hydroxy-3,7-dimethyl-?
You can request a quote for Octanenitrile, 7-hydroxy-3,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanenitrile, 7-hydroxy-3,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Octanenitrile, 7-hydroxy-3,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.