TL;DR: 3-Penten-2-one, 4-[(trimethylsilyl)oxy]- (CAS 13257-81-3) is a chemical compound with molecular formula C8H16O2Si and molecular weight 172.09195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-trimethylsilyloxypent-3-en-2-one
Also Known As: 4-trimethylsilyloxypent-3-en-2-one, 3-Penten-2-one, 4-[(trimethylsilyl)oxy]-, 4-Trimethylsilyloxy-3-penten-2-one, 4-[(trimethylsilyl)oxy]pent-3-en-2-one, 2-trimethylsiloxy-2-penten-4-one
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H16O2Si |
| Molecular Weight | 172.09195 g/mol |
| XLogP | 2.33 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.09195 Da |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
| SMILES | CC(=CC(=O)C)O[Si](C)(C)C |
| InChIKey | FBADCSUQBLLAHW-UHFFFAOYSA-N |
The XLogP value of 2.33 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Penten-2-one, 4-[(trimethylsilyl)oxy]-. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Penten-2-one, 4-[(trimethylsilyl)oxy]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Penten-2-one, 4-[(trimethylsilyl)oxy]- 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 3-Penten-2-one, 4-[(trimethylsilyl)oxy]- is 13257-81-3.
The molecular formula of 3-Penten-2-one, 4-[(trimethylsilyl)oxy]- is C8H16O2Si.
The molecular weight of 3-Penten-2-one, 4-[(trimethylsilyl)oxy]- is 172.09195 g/mol.
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