TL;DR: 4-[(Oxiran-2-yl)methyl]oxane (CAS 104727-86-8) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(oxiran-2-ylmethyl)oxane
Also Known As: 4-[(oxiran-2-yl)methyl]oxane, 4-(oxiran-2-ylmethyl)oxane
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.09938 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 21.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.09938 Da |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
| SMILES | C1COCCC1CC2CO2 |
| InChIKey | PNHQRIYJWXENJW-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Oxiran-2-yl)methyl]oxane. With a topological polar surface area (TPSA) of 21.8 Ų, 4-[(Oxiran-2-yl)methyl]oxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(Oxiran-2-yl)methyl]oxane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[(Oxiran-2-yl)methyl]oxane is 104727-86-8.
The molecular formula of 4-[(Oxiran-2-yl)methyl]oxane is C8H14O2.
The molecular weight of 4-[(Oxiran-2-yl)methyl]oxane is 142.09938 g/mol.
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