TL;DR: Silane, dimethyl(1-methylethyl)((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)- (CAS 134133-99-6) is a chemical compound with molecular formula C21H30O3Si and molecular weight 358.1964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-propan-2-yl-[2-[4-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl]silane
Also Known As: Silane, dimethyl(1-methylethyl)((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)-, Dimethyl(propan-2-yl){[4-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl}silane, dimethyl-propan-2-yl-[2-[4-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)phenyl]ethynyl]silane
| Molecular Formula | C21H30O3Si |
| Molecular Weight | 358.1964 g/mol |
| XLogP | 4.6695 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.1964 Da |
| Heavy Atoms | 25 |
| Complexity | 509.0 |
| SMILES | CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C[Si](C)(C)C(C)C |
| InChIKey | BDRMWEFKHAVVMT-UHFFFAOYSA-N |
The XLogP value of 4.6695 indicates that Silane, dimethyl(1-methylethyl)((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)- 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, dimethyl(1-methylethyl)((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Silane, dimethyl(1-methylethyl)((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)- 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, dimethyl(1-methylethyl)((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)- is 134133-99-6.
The molecular formula of Silane, dimethyl(1-methylethyl)((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)- is C21H30O3Si.
The molecular weight of Silane, dimethyl(1-methylethyl)((4-(4-propyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)- is 358.1964 g/mol.
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