2-tert-Butyl-1,3-dioxane
TL;DR: 2-tert-Butyl-1,3-dioxane (CAS 7560-76-1) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1,3-dioxane
Also Known As: 2-tert-Butyl-1,3-dioxane, m-Dioxane, 2-tert-butyl-, 2-t-butyl-1,3-dioxane, 2-tert-Butyl-[1,3]dioxane, 1, 2-(1,1-dimethylethyl)-
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 7560-76-1 |
|---|---|
| SMILES | CC(C)(C)C1OCCCO1 |
| InChIKey | IEIPIEQZEBWQNY-UHFFFAOYSA-N |
Product Overview
2-tert-Butyl-1,3-dioxane (CAS 7560-76-1), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 2-tert-butyl-1,3-dioxane.
Chemical Property Profile of 2-tert-Butyl-1,3-dioxane
Property Insights of 2-tert-Butyl-1,3-dioxane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-Butyl-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-tert-Butyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-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-tert-Butyl-1,3-dioxane?
The CAS number of 2-tert-Butyl-1,3-dioxane is 7560-76-1.
What is the molecular formula of 2-tert-Butyl-1,3-dioxane?
The molecular formula of 2-tert-Butyl-1,3-dioxane is C8H16O2.
What is the molecular weight of 2-tert-Butyl-1,3-dioxane?
The molecular weight of 2-tert-Butyl-1,3-dioxane is 144.12 g/mol.
Where can I buy 2-tert-Butyl-1,3-dioxane?
You can request a quote for 2-tert-Butyl-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-tert-Butyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.