TL;DR: 2,4-Diethyl-6-methyl-1,3,5-trioxane (CAS 117888-04-7) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-diethyl-6-methyl-1,3,5-trioxane
Also Known As: 2,4-Diethyl-6-methyl-1,3,5-trioxane, SWBSXEDRNYINCU-UHFFFAOYSA-, SWBSXEDRNYINCU-UHFFFAOYSA, 1,3,5-Trioxane,2,4-diethyl-6-methyl-, 6-METHYL-2,4-DIETHYL-1,3,5-TRIOXANE
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.10994 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.10994 Da |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
| SMILES | CCC1OC(OC(O1)CC)C |
| InChIKey | SWBSXEDRNYINCU-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diethyl-6-methyl-1,3,5-trioxane. With a topological polar surface area (TPSA) of 27.7 Ų, 2,4-Diethyl-6-methyl-1,3,5-trioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Diethyl-6-methyl-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.
The CAS number of 2,4-Diethyl-6-methyl-1,3,5-trioxane is 117888-04-7.
The molecular formula of 2,4-Diethyl-6-methyl-1,3,5-trioxane is C8H16O3.
The molecular weight of 2,4-Diethyl-6-methyl-1,3,5-trioxane is 160.10994 g/mol.
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