About dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane
dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane (PubChem CID 158098647) has the molecular formula C31H84O7Si6
and a molecular weight of 737.52 g/mol. Its IUPAC name is dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane.
Molecular Properties
| Compound Name | dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane |
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| PubChem CID | 158098647 |
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| Molecular Formula | C31H84O7Si6 |
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| Molecular Weight | 737.52 g/mol |
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| Exact Mass | 736.48 |
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| IUPAC Name | dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane |
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| SMILES | C.C.C.C.C.C.C.C.CCCOCCOC[Si](C)(O[SiH](C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)C)c1ccccc1)O[Si](C)(C)C |
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| InChI | InChI=1S/C23H52O7Si6.8CH4/c1-13-19-24-20-21-25-22-35(11,29-33(6,7)8)26-31(2)27-36(12,23-17-15-14-16-18-23)30-34(9,10)28-32(3,4)5;;;;;;;;/h14-18,31H,13,19-22H2,1-12H3;8*1H4 |
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| InChIKey | FOZBEMDOOCZCCT-UHFFFAOYSA-N |
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| XLogP | 10.41 |
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| TPSA | 64.61 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 737.52 |
| LogP ≤ 5 | 10.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane?
The IUPAC name of dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane (CID 158098647) is dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane.
What is the SMILES notation for dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane?
The canonical SMILES for dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane is C.C.C.C.C.C.C.C.CCCOCCOC[Si](C)(O[SiH](C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)C)c1ccccc1)O[Si](C)(C)C.
What is the InChIKey of dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane?
The InChIKey is FOZBEMDOOCZCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52O7Si6.8CH4/c1-13-19-24-20-21-25-22-35(11,29-33(6,7)8)26-31(2)27-36(12,23-17-15-14-16-18-23)30-34(9,10)28-32(3,4)5;;;;;;;;/h14-18,31H,13,19-22H2,1-12H3;8*1H4.
What are the key properties of dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane?
dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane has a molecular weight of 737.52 g/mol, XLogP of 10.41, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[methyl-[methyl-[methyl-(2-propoxyethoxymethyl)-trimethylsilyloxysilyl]oxysilyl]oxy-phenylsilyl]oxy-trimethylsilyloxysilane;methane is sourced from PubChem (CID 158098647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).