About 4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile
4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile (PubChem CID 153321857) has the molecular formula C22H42N2O4Si5
and a molecular weight of 539.02 g/mol. Its IUPAC name is 4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile.
Molecular Properties
| Compound Name | 4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile |
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| PubChem CID | 153321857 |
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| Molecular Formula | C22H42N2O4Si5 |
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| Molecular Weight | 539.02 g/mol |
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| Exact Mass | 538.20 |
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| IUPAC Name | 4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile |
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| SMILES | C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc1ccc(C#N)c(C#N)c1 |
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| InChI | InChI=1S/C22H42N2O4Si5/c1-29(2,3)25-31(6,7)27-33(10,11)28-32(8,9)26-30(4,5)16-12-13-20-14-15-21(18-23)22(17-20)19-24/h14-15,17H,12-13,16H2,1-11H3 |
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| InChIKey | LZECRUWSLXUUNL-UHFFFAOYSA-N |
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| XLogP | 6.57 |
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| TPSA | 84.50 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 539.02 |
| LogP ≤ 5 | 6.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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 4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile (CID 153321857) is 4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile is C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile?
The InChIKey is LZECRUWSLXUUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O4Si5/c1-29(2,3)25-31(6,7)27-33(10,11)28-32(8,9)26-30(4,5)16-12-13-20-14-15-21(18-23)22(17-20)19-24/h14-15,17H,12-13,16H2,1-11H3.
What are the key properties of 4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile?
4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile has a molecular weight of 539.02 g/mol, XLogP of 6.57, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 153321857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).