About dodecacopper;hexasilicate
dodecacopper;hexasilicate (PubChem CID 158252075) has the molecular formula Cu12O24Si6
and a molecular weight of 1315.04 g/mol. Its IUPAC name is dodecacopper;hexasilicate.
Molecular Properties
| Compound Name | dodecacopper;hexasilicate |
|---|
| PubChem CID | 158252075 |
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| Molecular Formula | Cu12O24Si6 |
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| Molecular Weight | 1315.04 g/mol |
|---|
| Exact Mass | 1306.89 |
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| IUPAC Name | dodecacopper;hexasilicate |
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| SMILES | [Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-] |
|---|
| InChI | InChI=1S/12Cu.6O4Si/c;;;;;;;;;;;;6*1-5(2,3)4/q12*+2;6*-4 |
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| InChIKey | GGVLMFGPHCWANU-UHFFFAOYSA-N |
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| XLogP | -30.85 |
|---|
| TPSA | 553.44 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 24 |
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| Rotatable Bonds | |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1315.04 |
| LogP ≤ 5 | -30.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
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 dodecacopper;hexasilicate?
The IUPAC name of dodecacopper;hexasilicate (CID 158252075) is dodecacopper;hexasilicate.
What is the SMILES notation for dodecacopper;hexasilicate?
The canonical SMILES for dodecacopper;hexasilicate is [Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of dodecacopper;hexasilicate?
The InChIKey is GGVLMFGPHCWANU-UHFFFAOYSA-N. The full InChI is InChI=1S/12Cu.6O4Si/c;;;;;;;;;;;;6*1-5(2,3)4/q12*+2;6*-4.
What are the key properties of dodecacopper;hexasilicate?
dodecacopper;hexasilicate has a molecular weight of 1315.04 g/mol, XLogP of -30.85, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dodecacopper;hexasilicate is sourced from PubChem (CID 158252075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).