About molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)
molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) (PubChem CID 139053071) has the molecular formula C108H243Mo3O39Si9-15
and a molecular weight of 2706.69 g/mol. Its IUPAC name is molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane).
Molecular Properties
| Compound Name | molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) |
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| PubChem CID | 139053071 |
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| Molecular Formula | C108H243Mo3O39Si9-15 |
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| Molecular Weight | 2706.69 g/mol |
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| Exact Mass | 2710.22 |
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| IUPAC Name | molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) |
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| SMILES | CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.[Mo].[Mo].[Mo].[O-2].[O-2].[O-2] |
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| InChI | InChI=1S/9C12H27O4Si.3Mo.3O/c9*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;;;;;;/h9*1-9H3;;;;;;/q9*-1;;;;3*-2 |
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| InChIKey | GSPCAVYXIAXRKK-UHFFFAOYSA-N |
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| XLogP | 19.68 |
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| TPSA | 542.25 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 36 |
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| Rotatable Bonds | 27 |
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| Heavy Atoms | 159 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2706.69 |
| LogP ≤ 5 | 19.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |
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 molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)?
The IUPAC name of molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) (CID 139053071) is molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane).
What is the SMILES notation for molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)?
The canonical SMILES for molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) is CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.[Mo].[Mo].[Mo].[O-2].[O-2].[O-2].
What is the InChIKey of molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)?
The InChIKey is GSPCAVYXIAXRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/9C12H27O4Si.3Mo.3O/c9*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;;;;;;/h9*1-9H3;;;;;;/q9*-1;;;;3*-2.
What are the key properties of molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)?
molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) has a molecular weight of 2706.69 g/mol, XLogP of 19.68, 27 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;tris(oxygen(2-));nonakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) is sourced from PubChem (CID 139053071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).