2-Hexyl-5-methyl-5-nitro-1,3-dioxane
TL;DR: 2-Hexyl-5-methyl-5-nitro-1,3-dioxane (CAS 103982-00-9) is a chemical compound with molecular formula C11H21NO4 and molecular weight 231.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexyl-5-methyl-5-nitro-1,3-dioxane
Also Known As: 2-hexyl-5-methyl-5-nitro-1,3-dioxane, 1,3-Dioxane,2-hexyl-5-methyl-5-nitro-
Technical Specifications
| Molecular Formula | C11H21NO4 |
| Molecular Weight | 231.14706 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.14706 Da |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
| SMILES | CCCCCCC1OCC(CO1)(C)[N+](=O)[O-] |
| InChIKey | CILVWTFYDIFKLI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hexyl-5-methyl-5-nitro-1,3-dioxane
Property Insights of 2-Hexyl-5-methyl-5-nitro-1,3-dioxane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexyl-5-methyl-5-nitro-1,3-dioxane. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hexyl-5-methyl-5-nitro-1,3-dioxane. Following Lipinski's Rule of Five, 2-Hexyl-5-methyl-5-nitro-1,3-dioxane has 0 hydrogen bond donor(s) and 4 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-Hexyl-5-methyl-5-nitro-1,3-dioxane?
The CAS number of 2-Hexyl-5-methyl-5-nitro-1,3-dioxane is 103982-00-9.
What is the molecular formula of 2-Hexyl-5-methyl-5-nitro-1,3-dioxane?
The molecular formula of 2-Hexyl-5-methyl-5-nitro-1,3-dioxane is C11H21NO4.
What is the molecular weight of 2-Hexyl-5-methyl-5-nitro-1,3-dioxane?
The molecular weight of 2-Hexyl-5-methyl-5-nitro-1,3-dioxane is 231.14706 g/mol.
Where can I buy 2-Hexyl-5-methyl-5-nitro-1,3-dioxane?
You can request a quote for 2-Hexyl-5-methyl-5-nitro-1,3-dioxane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hexyl-5-methyl-5-nitro-1,3-dioxane?
Yes, CoreyChem provides custom synthesis services for 2-Hexyl-5-methyl-5-nitro-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.