TL;DR: Silane, ((4-(4-cyclopentyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- (CAS 134133-94-1) is a chemical compound with molecular formula C21H28O3Si and molecular weight 356.1808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(4-cyclopentyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl-trimethylsilane
Also Known As: Silane, ((4-(4-cyclopentyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl-, ((4-(4-Cyclopentyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethylsilane, {[4-(4-Cyclopentyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl}tri(methyl)silane, 2-[4-(1-cyclopentyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)phenyl]ethynyl-trimethylsilane
| Molecular Formula | C21H28O3Si |
| Molecular Weight | 356.1808 g/mol |
| XLogP | 4.2794 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.1808 Da |
| Heavy Atoms | 25 |
| Complexity | 528.0 |
| SMILES | C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4CCCC4 |
| InChIKey | SZERSUYDFARGJO-UHFFFAOYSA-N |
The XLogP value of 4.2794 indicates that Silane, ((4-(4-cyclopentyl-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-(4-cyclopentyl-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-(4-cyclopentyl-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-(4-cyclopentyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- is 134133-94-1.
The molecular formula of Silane, ((4-(4-cyclopentyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- is C21H28O3Si.
The molecular weight of Silane, ((4-(4-cyclopentyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- is 356.1808 g/mol.
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