TL;DR: 2-Ethyl-4-methyl-2-phenyl-1,3-dioxolane (CAS 100847-14-1) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-4-methyl-2-phenyl-1,3-dioxolane
Also Known As: 2-ethyl-4-methyl-2-phenyl-1,3-dioxolane, 2-ethyl-4-methyl-2-phenyl-[1,3]dioxolane
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.11504 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.11504 Da |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
| SMILES | CCC1(OCC(O1)C)C2=CC=CC=C2 |
| InChIKey | TXPYLLJXQFPFHZ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-4-methyl-2-phenyl-1,3-dioxolane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Ethyl-4-methyl-2-phenyl-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-4-methyl-2-phenyl-1,3-dioxolane 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 2-Ethyl-4-methyl-2-phenyl-1,3-dioxolane is 100847-14-1.
The molecular formula of 2-Ethyl-4-methyl-2-phenyl-1,3-dioxolane is C12H16O2.
The molecular weight of 2-Ethyl-4-methyl-2-phenyl-1,3-dioxolane is 192.11504 g/mol.
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