2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane
TL;DR: 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane (CAS 59682-78-9) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-pentan-3-yl-1,3-dioxane
Also Known As: 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane, 5,5-dimethyl-2-pentan-3-yl-1,3-dioxane, 2- -5,5-DIMETHYL-1,3-DIOXANE, 1,3-Dioxane,2-(1-ethylpropyl)-5,5-dimethyl-, 5,5-DIMETHYL-2-(PENTAN-3-YL)-1,3-DIOXANE
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 59682-78-9 |
|---|---|
| SMILES | CCC(CC)C1OCC(CO1)(C)C |
| InChIKey | JMPWPSASOPWBJF-UHFFFAOYSA-N |
Product Overview
2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane (CAS 59682-78-9), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 5,5-dimethyl-2-pentan-3-yl-1,3-dioxane.
Chemical Property Profile of 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane
Property Insights of 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane
The XLogP value of 3.1 indicates that 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane has 0 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 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane?
The CAS number of 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane is 59682-78-9.
What is the molecular formula of 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane?
The molecular formula of 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane is C11H22O2.
What is the molecular weight of 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane?
The molecular weight of 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane is 186.16 g/mol.
Where can I buy 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane?
You can request a quote for 2-(1-Ethylpropyl)-5,5-dimethyl-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 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Ethylpropyl)-5,5-dimethyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.