About cerium(4+);tetrakis(2,2,6-triethyloxasilinane)
cerium(4+);tetrakis(2,2,6-triethyloxasilinane) (PubChem CID 19820853) has the molecular formula C40H88CeO4Si4+4
and a molecular weight of 885.60 g/mol. Its IUPAC name is cerium(4+);tetrakis(2,2,6-triethyloxasilinane).
Molecular Properties
| Compound Name | cerium(4+);tetrakis(2,2,6-triethyloxasilinane) |
|---|
| PubChem CID | 19820853 |
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| Molecular Formula | C40H88CeO4Si4+4 |
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| Molecular Weight | 885.60 g/mol |
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| Exact Mass | 884.48 |
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| IUPAC Name | cerium(4+);tetrakis(2,2,6-triethyloxasilinane) |
|---|
| SMILES | CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.[Ce+4] |
|---|
| InChI | InChI=1S/4C10H22OSi.Ce/c4*1-4-10-8-7-9-12(5-2,6-3)11-10;/h4*10H,4-9H2,1-3H3;/q;;;;+4 |
|---|
| InChIKey | JLOYNLIWKKPFHK-UHFFFAOYSA-N |
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| XLogP | 14.24 |
|---|
| TPSA | 36.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 49 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 885.60 |
| LogP ≤ 5 | 14.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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 cerium(4+);tetrakis(2,2,6-triethyloxasilinane)?
The IUPAC name of cerium(4+);tetrakis(2,2,6-triethyloxasilinane) (CID 19820853) is cerium(4+);tetrakis(2,2,6-triethyloxasilinane).
What is the SMILES notation for cerium(4+);tetrakis(2,2,6-triethyloxasilinane)?
The canonical SMILES for cerium(4+);tetrakis(2,2,6-triethyloxasilinane) is CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.[Ce+4].
What is the InChIKey of cerium(4+);tetrakis(2,2,6-triethyloxasilinane)?
The InChIKey is JLOYNLIWKKPFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H22OSi.Ce/c4*1-4-10-8-7-9-12(5-2,6-3)11-10;/h4*10H,4-9H2,1-3H3;/q;;;;+4.
What are the key properties of cerium(4+);tetrakis(2,2,6-triethyloxasilinane)?
cerium(4+);tetrakis(2,2,6-triethyloxasilinane) has a molecular weight of 885.60 g/mol, XLogP of 14.24, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(4+);tetrakis(2,2,6-triethyloxasilinane) is sourced from PubChem (CID 19820853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).