About 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane (PubChem CID 101056715) has the molecular formula C20H48N2O7Si6
and a molecular weight of 597.13 g/mol. Its IUPAC name is 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane.
Molecular Properties
| Compound Name | 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane |
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| PubChem CID | 101056715 |
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| Molecular Formula | C20H48N2O7Si6 |
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| Molecular Weight | 597.13 g/mol |
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| Exact Mass | 596.21 |
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| IUPAC Name | 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane |
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| SMILES | C[Si](C)(CCCN=C=O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCN=C=O |
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| InChI | InChI=1S/C20H48N2O7Si6/c1-30(2,17-13-15-21-19-23)25-32(5,6)27-34(9,10)29-35(11,12)28-33(7,8)26-31(3,4)18-14-16-22-20-24/h13-18H2,1-12H3 |
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| InChIKey | CLFIYCZQNCHZQT-UHFFFAOYSA-N |
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| XLogP | 5.74 |
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| TPSA | 105.01 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 597.13 |
| LogP ≤ 5 | 5.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane (CID 101056715) is 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane is C[Si](C)(CCCN=C=O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCN=C=O.
What is the InChIKey of 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is CLFIYCZQNCHZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H48N2O7Si6/c1-30(2,17-13-15-21-19-23)25-32(5,6)27-34(9,10)29-35(11,12)28-33(7,8)26-31(3,4)18-14-16-22-20-24/h13-18H2,1-12H3.
What are the key properties of 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 597.13 g/mol, XLogP of 5.74, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 101056715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).