About tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane
tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane (PubChem CID 123670804) has the molecular formula C21H54O3Si5
and a molecular weight of 495.09 g/mol. Its IUPAC name is tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane.
Molecular Properties
| Compound Name | tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane |
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| PubChem CID | 123670804 |
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| Molecular Formula | C21H54O3Si5 |
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| Molecular Weight | 495.09 g/mol |
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| Exact Mass | 494.29 |
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| IUPAC Name | tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane |
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| SMILES | CC(C)(C)[Si](C)(C)OCCC[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O |
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| InChI | InChI=1S/C21H54O3Si5/c1-21(2,3)29(12,13)23-15-14-16-25(4,5)17-19-27(8,9)24-28(10,11)20-18-26(6,7)22/h22H,14-20H2,1-13H3 |
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| InChIKey | GCNJXGCMISGHGB-UHFFFAOYSA-N |
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| XLogP | 7.73 |
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| TPSA | 38.69 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 495.09 |
| LogP ≤ 5 | 7.73 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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 tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane (CID 123670804) is tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O.
What is the InChIKey of tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane?
The InChIKey is GCNJXGCMISGHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H54O3Si5/c1-21(2,3)29(12,13)23-15-14-16-25(4,5)17-19-27(8,9)24-28(10,11)20-18-26(6,7)22/h22H,14-20H2,1-13H3.
What are the key properties of tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane?
tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane has a molecular weight of 495.09 g/mol, XLogP of 7.73, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[2-[[2-[hydroxy(dimethyl)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl-dimethylsilyl]propoxy]-dimethylsilane is sourced from PubChem (CID 123670804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).