About [dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane
[dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane (PubChem CID 159481416) has the molecular formula C28H52O5Si6
and a molecular weight of 637.24 g/mol. Its IUPAC name is [dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane.
Molecular Properties
| Compound Name | [dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane |
| PubChem CID | 159481416 |
| Molecular Formula | C28H52O5Si6 |
| Molecular Weight | 637.24 g/mol |
| Exact Mass | 636.24 |
| IUPAC Name | [dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane |
| SMILES | C=C[Si](C)(OOCC)O[Si](C)(C)c1ccc([Si](C)(C)O[Si](C)(C)O[Si](C)(C)c2ccc([Si](C)(C)C)cc2)cc1 |
| InChI | InChI=1S/C28H52O5Si6/c1-15-29-30-39(14,16-2)33-37(10,11)28-23-21-27(22-24-28)36(8,9)32-38(12,13)31-35(6,7)26-19-17-25(18-20-26)34(3,4)5/h16-24H,2,15H2,1,3-14H3 |
| InChIKey | KLBKVCPEROSKAK-UHFFFAOYSA-N |
| XLogP | 5.69 |
| TPSA | 46.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 39 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 637.24 |
| LogP ≤ 5 | 5.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of [dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane (CID 159481416) is [dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for [dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for [dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane is C=C[Si](C)(OOCC)O[Si](C)(C)c1ccc([Si](C)(C)O[Si](C)(C)O[Si](C)(C)c2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of [dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is KLBKVCPEROSKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O5Si6/c1-15-29-30-39(14,16-2)33-37(10,11)28-23-21-27(22-24-28)36(8,9)32-38(12,13)31-35(6,7)26-19-17-25(18-20-26)34(3,4)5/h16-24H,2,15H2,1,3-14H3.
What are the key properties of [dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane?
[dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 637.24 g/mol, XLogP of 5.69, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(4-trimethylsilylphenyl)silyl]oxy-[[4-[(ethenyl-ethylperoxy-methylsilyl)oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 159481416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).