About [[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane
[[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane (PubChem CID 12722944) has the molecular formula C13H36F2O6P2Si4
and a molecular weight of 500.71 g/mol. Its IUPAC name is [[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane.
Molecular Properties
| Compound Name | [[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane |
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| PubChem CID | 12722944 |
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| Molecular Formula | C13H36F2O6P2Si4 |
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| Molecular Weight | 500.71 g/mol |
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| Exact Mass | 500.10 |
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| IUPAC Name | [[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane |
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| SMILES | C[Si](C)(C)OP(=O)(O[Si](C)(C)C)C(F)(F)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C |
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| InChI | InChI=1S/C13H36F2O6P2Si4/c1-24(2,3)18-22(16,19-25(4,5)6)13(14,15)23(17,20-26(7,8)9)21-27(10,11)12/h1-12H3 |
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| InChIKey | LAHAERNCHGYUMP-UHFFFAOYSA-N |
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| XLogP | 7.33 |
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| TPSA | 71.06 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 500.71 |
| LogP ≤ 5 | 7.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane?
The IUPAC name of [[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane (CID 12722944) is [[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane.
What is the SMILES notation for [[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane?
The canonical SMILES for [[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane is C[Si](C)(C)OP(=O)(O[Si](C)(C)C)C(F)(F)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane?
The InChIKey is LAHAERNCHGYUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H36F2O6P2Si4/c1-24(2,3)18-22(16,19-25(4,5)6)13(14,15)23(17,20-26(7,8)9)21-27(10,11)12/h1-12H3.
What are the key properties of [[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane?
[[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane has a molecular weight of 500.71 g/mol, XLogP of 7.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(trimethylsilyloxy)phosphoryl-difluoromethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane is sourced from PubChem (CID 12722944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).