About N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride
N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride (PubChem CID 87936284) has the molecular formula C18H28Cl2NO2Si2Zr
and a molecular weight of 508.73 g/mol. Its IUPAC name is N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride.
Molecular Properties
| Compound Name | N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride |
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| PubChem CID | 87936284 |
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| Molecular Formula | C18H28Cl2NO2Si2Zr |
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| Molecular Weight | 508.73 g/mol |
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| Exact Mass | 506.01 |
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| IUPAC Name | N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride |
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| SMILES | CO[Si]1(C)c2[cH-]c3ccc(O[Si](C)(C)C)c(NC(C)(C)C)c3c21.[Cl-].[Cl-].[Zr+3] |
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| InChI | InChI=1S/C18H28NO2Si2.2ClH.Zr/c1-18(2,3)19-16-13(21-22(5,6)7)10-9-12-11-14-17(15(12)16)23(14,8)20-4;;;/h9-11,19H,1-8H3;2*1H;/q-1;;;+3/p-2 |
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| InChIKey | WCXMVSUEMBUJSV-UHFFFAOYSA-L |
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| XLogP | -2.36 |
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| TPSA | 30.49 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 26 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 508.73 |
| LogP ≤ 5 | -2.36 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride?
The IUPAC name of N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride (CID 87936284) is N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride.
What is the SMILES notation for N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride?
The canonical SMILES for N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride is CO[Si]1(C)c2[cH-]c3ccc(O[Si](C)(C)C)c(NC(C)(C)C)c3c21.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride?
The InChIKey is WCXMVSUEMBUJSV-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H28NO2Si2.2ClH.Zr/c1-18(2,3)19-16-13(21-22(5,6)7)10-9-12-11-14-17(15(12)16)23(14,8)20-4;;;/h9-11,19H,1-8H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride?
N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride has a molecular weight of 508.73 g/mol, XLogP of -2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-methoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride is sourced from PubChem (CID 87936284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).