About [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane
[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane (PubChem CID 91700221) has the molecular formula C20H29F4NO4Si3
and a molecular weight of 507.71 g/mol. Its IUPAC name is [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane.
Molecular Properties
| Compound Name | [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane |
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| PubChem CID | 91700221 |
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| Molecular Formula | C20H29F4NO4Si3 |
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| Molecular Weight | 507.71 g/mol |
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| Exact Mass | 507.13 |
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| IUPAC Name | [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane |
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| SMILES | C[Si](C)(OCc1cccnc1)O[Si](C)(C)O[Si](C)(C)OCc1c(F)cccc1C(F)(F)F |
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| InChI | InChI=1S/C20H29F4NO4Si3/c1-30(2,26-14-16-9-8-12-25-13-16)28-32(5,6)29-31(3,4)27-15-17-18(20(22,23)24)10-7-11-19(17)21/h7-13H,14-15H2,1-6H3 |
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| InChIKey | CXAVXOZYLHMKQD-UHFFFAOYSA-N |
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| XLogP | 6.11 |
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| TPSA | 49.81 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 507.71 |
| LogP ≤ 5 | 6.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane (CID 91700221) is [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane is C[Si](C)(OCc1cccnc1)O[Si](C)(C)O[Si](C)(C)OCc1c(F)cccc1C(F)(F)F.
What is the InChIKey of [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is CXAVXOZYLHMKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F4NO4Si3/c1-30(2,26-14-16-9-8-12-25-13-16)28-32(5,6)29-31(3,4)27-15-17-18(20(22,23)24)10-7-11-19(17)21/h7-13H,14-15H2,1-6H3.
What are the key properties of [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane?
[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 507.71 g/mol, XLogP of 6.11, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 91700221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).