TL;DR: Silane, (((4-(1,1-dimethylethyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- (CAS 108636-25-5) is a chemical compound with molecular formula C20H28O3Si and molecular weight 344.1808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl-trimethylsilane
Also Known As: Silane, (((4-(1,1-dimethylethyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl-, 4-tert-Butyl-1-(4-((trimethylsilyl)ethynyl)phenyl)-2,6,7-trioxabicyclo(2.2.2)octane, (((4-(1,1-Dimethylethyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethylsilane, {[4-(4-tert-Butyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl}tri(methyl)silane, 2-[4-(1-tert-butyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)phenyl]ethynyl-trimethylsilane
| Molecular Formula | C20H28O3Si |
| Molecular Weight | 344.1808 g/mol |
| XLogP | 4.1353 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.1808 Da |
| Heavy Atoms | 24 |
| Complexity | 510.0 |
| SMILES | CC(C)(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C |
| InChIKey | ATGBINQKNBKIGL-UHFFFAOYSA-N |
The XLogP value of 4.1353 indicates that Silane, (((4-(1,1-dimethylethyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Silane, (((4-(1,1-dimethylethyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Silane, (((4-(1,1-dimethylethyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Silane, (((4-(1,1-dimethylethyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- is 108636-25-5.
The molecular formula of Silane, (((4-(1,1-dimethylethyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- is C20H28O3Si.
The molecular weight of Silane, (((4-(1,1-dimethylethyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- is 344.1808 g/mol.
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