About [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide
[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide (PubChem CID 10373637) has the molecular formula C20H28BClF12O13S4Si2
and a molecular weight of 935.11 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide.
Molecular Properties
| Compound Name | [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide |
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| PubChem CID | 10373637 |
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| Molecular Formula | C20H28BClF12O13S4Si2 |
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| Molecular Weight | 935.11 g/mol |
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| Exact Mass | 933.95 |
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| IUPAC Name | [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide |
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| SMILES | C[Si](C)(C)C[CH+]CC(O[Si](C)(C)C)c1ccc(Cl)cc1.O=S(=O)(O[B-](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F |
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| InChI | InChI=1S/C16H28ClOSi2.C4BF12O12S4/c1-19(2,3)13-7-8-16(18-20(4,5)6)14-9-11-15(17)12-10-14;6-1(7,8)30(18,19)26-5(27-31(20,21)2(9,10)11,28-32(22,23)3(12,13)14)29-33(24,25)4(15,16)17/h7,9-12,16H,8,13H2,1-6H3;/q+1;-1 |
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| InChIKey | UWNSSDIBQZJUIA-UHFFFAOYSA-N |
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| XLogP | 7.05 |
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| TPSA | 182.71 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 13 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 53 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 935.11 |
| LogP ≤ 5 | 7.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide?
The IUPAC name of [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide (CID 10373637) is [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide.
What is the SMILES notation for [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide?
The canonical SMILES for [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide is C[Si](C)(C)C[CH+]CC(O[Si](C)(C)C)c1ccc(Cl)cc1.O=S(=O)(O[B-](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide?
The InChIKey is UWNSSDIBQZJUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClOSi2.C4BF12O12S4/c1-19(2,3)13-7-8-16(18-20(4,5)6)14-9-11-15(17)12-10-14;6-1(7,8)30(18,19)26-5(27-31(20,21)2(9,10)11,28-32(22,23)3(12,13)14)29-33(24,25)4(15,16)17/h7,9-12,16H,8,13H2,1-6H3;/q+1;-1.
What are the key properties of [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide?
[1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide has a molecular weight of 935.11 g/mol, XLogP of 7.05, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-4-trimethylsilylbutoxy]-trimethylsilane;tetrakis(trifluoromethylsulfonyloxy)boranuide is sourced from PubChem (CID 10373637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).