TL;DR: 4H-Pyran-4-one, 5-((trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)- (CAS 55557-21-6) is a chemical compound with molecular formula C12H22O4Si2 and molecular weight 286.10565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)pyran-4-one
Also Known As: Kojic acid, 2TMS derivative, Butanoic acid,3-methyl-,trimethylsilyl ester, 5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)pyran-4-one, 4H-Pyran-4-one, 5-((trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)-, 5-((TRIMETHYLSILYL)OXY-2-((TRIMETHYLSILY)OXY)*)
| Molecular Formula | C12H22O4Si2 |
| Molecular Weight | 286.10565 g/mol |
| XLogP | 3.21 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.10565 Da |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
| SMILES | C[Si](C)(C)OCC1=CC(=O)C(=CO1)O[Si](C)(C)C |
| InChIKey | YBZFOZISWWXREG-UHFFFAOYSA-N |
The XLogP value of 3.21 indicates that 4H-Pyran-4-one, 5-((trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 4H-Pyran-4-one, 5-((trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyran-4-one, 5-((trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-Pyran-4-one, 5-((trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)- is 55557-21-6.
The molecular formula of 4H-Pyran-4-one, 5-((trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)- is C12H22O4Si2.
The molecular weight of 4H-Pyran-4-one, 5-((trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)- is 286.10565 g/mol.
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