TL;DR: 3-[Tert-butyl(dimethyl)silyl]prop-2-yn-1-ol (CAS 120789-51-7) is a chemical compound with molecular formula C9H18OSi and molecular weight 170.11269 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol
Also Known As: 3-tert-Butyldimethylsilyl-2-propyn-1-ol, 3-(tert-butyldimethylsilyl)prop-2-yn-1-ol, 3-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol, 3-TBDMS-2-propyn-1-ol, 3-(tert-butyldimethylsilyl)-2-propyn-1-ol
| Molecular Formula | C9H18OSi |
| Molecular Weight | 170.11269 g/mol |
| XLogP | 2.0298 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.11269 Da |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
| SMILES | CC(C)(C)[Si](C)(C)C#CCO |
| InChIKey | BSFBEXRZAZEBTM-UHFFFAOYSA-N |
The XLogP value of 2.0298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[Tert-butyl(dimethyl)silyl]prop-2-yn-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-[Tert-butyl(dimethyl)silyl]prop-2-yn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[Tert-butyl(dimethyl)silyl]prop-2-yn-1-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[Tert-butyl(dimethyl)silyl]prop-2-yn-1-ol is 120789-51-7.
The molecular formula of 3-[Tert-butyl(dimethyl)silyl]prop-2-yn-1-ol is C9H18OSi.
The molecular weight of 3-[Tert-butyl(dimethyl)silyl]prop-2-yn-1-ol is 170.11269 g/mol.
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