TL;DR: Cyclohexaneacetonitrile, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-, trans- (CAS 101859-26-1) is a chemical compound with molecular formula C14H27NOSi and molecular weight 253.18619 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetonitrile
Also Known As: Cyclohexaneacetonitrile, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-, trans-, (2-{[tert-Butyl(dimethyl)silyl]oxy}cyclohexyl)acetonitrile, [(1S,2R)-2-{[tert-Butyldi(methyl)silyl]oxy}cyclohexyl]acetonitrile, 2-[(1S,2R)-2-(dimethyl-tert-butyl-silyl)oxycyclohexyl]acetonitrile, 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetonitrile
| Molecular Formula | C14H27NOSi |
| Molecular Weight | 253.18619 g/mol |
| XLogP | 4.48068 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.18619 Da |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
| SMILES | CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1CC#N |
| InChIKey | YYAFMCJEHOLNIV-QWHCGFSZSA-N |
The XLogP value of 4.48068 indicates that Cyclohexaneacetonitrile, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, Cyclohexaneacetonitrile, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneacetonitrile, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-, trans- 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 Cyclohexaneacetonitrile, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-, trans- is 101859-26-1.
The molecular formula of Cyclohexaneacetonitrile, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-, trans- is C14H27NOSi.
The molecular weight of Cyclohexaneacetonitrile, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-, trans- is 253.18619 g/mol.
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