![5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane structure](/static/products/5663/5663-14-9.webp)
5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane
TL;DR: 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane (CAS 5663-14-9) is a chemical compound with molecular formula C8H13NO4 and molecular weight 187.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane
Also Known As: 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane, 5-methyl-5-nitro-2-(prop-1-en-1-yl)-1,3-dioxane, 5-Methyl-5-nitro-2-[(1E)-prop-1-en-1-yl]-1,3-dioxane
| Molecular Formula | C8H13NO4 |
|---|---|
| Molecular Weight | 187.08 g/mol |
| LogP | 0.9708 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.08446 |
| Heavy Atoms | 13 |
| Complexity | 218.18391 |
Chemical Identifiers
| CAS Number | 5663-14-9 |
|---|---|
| SMILES | C/C=C/C1OCC(CO1)(C)[N+](=O)[O-] |
Product Overview
5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane (CAS 5663-14-9), with molecular formula C8H13NO4 and molecular weight 187.08 g/mol. IUPAC: 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane.
Chemical Property Profile of 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane
Property Insights of 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane
The XLogP value of 0.9708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane. Following Lipinski's Rule of Five, 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-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
Frequently Asked Questions
What is the CAS number of 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane?
The CAS number of 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane is 5663-14-9.
What is the molecular formula of 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane?
The molecular formula of 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane is C8H13NO4.
What is the molecular weight of 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane?
The molecular weight of 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane is 187.08 g/mol.
Where can I buy 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane?
You can request a quote for 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-5-nitro-2-[(E)-prop-1-enyl]-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.