2,4,6-Triethyl-1,3,5-trioxane
TL;DR: 2,4,6-Triethyl-1,3,5-trioxane (CAS 2396-42-1) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-triethyl-1,3,5-trioxane
Also Known As: 2,4,6-Triethyl-1,3,5-trioxane, Parapropionaldehyde, Parapropanal, PARA-PROPIONALDEHYDE, s-Trioxane, 2,4,6-triethyl-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O3 |
| Molecular Weight | 174.1256 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.1256 Da |
| Heavy Atoms | 12 |
| Complexity | 91.0 |
| Melting Point | -20 °C |
| SMILES | CCC1OC(OC(O1)CC)CC |
| InChIKey | GYBGKXFOKOSPLS-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,6-Triethyl-1,3,5-trioxane
Property Insights of 2,4,6-Triethyl-1,3,5-trioxane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Triethyl-1,3,5-trioxane. With a topological polar surface area (TPSA) of 27.7 Ų, 2,4,6-Triethyl-1,3,5-trioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Triethyl-1,3,5-trioxane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4,6-Triethyl-1,3,5-trioxane?
The CAS number of 2,4,6-Triethyl-1,3,5-trioxane is 2396-42-1.
What is the molecular formula of 2,4,6-Triethyl-1,3,5-trioxane?
The molecular formula of 2,4,6-Triethyl-1,3,5-trioxane is C9H18O3.
What is the molecular weight of 2,4,6-Triethyl-1,3,5-trioxane?
The molecular weight of 2,4,6-Triethyl-1,3,5-trioxane is 174.1256 g/mol.
Where can I buy 2,4,6-Triethyl-1,3,5-trioxane?
You can request a quote for 2,4,6-Triethyl-1,3,5-trioxane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Triethyl-1,3,5-trioxane?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Triethyl-1,3,5-trioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.