About [3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride
[3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride (PubChem CID 87438413) has the molecular formula C26H30Cl2O2SiZr
and a molecular weight of 564.74 g/mol. Its IUPAC name is [3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride.
Molecular Properties
| Compound Name | [3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride |
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| PubChem CID | 87438413 |
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| Molecular Formula | C26H30Cl2O2SiZr |
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| Molecular Weight | 564.74 g/mol |
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| Exact Mass | 562.04 |
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| IUPAC Name | [3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride |
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| SMILES | COCCc1c([Si](C)(C)[c-]2cc(CCOC)c3ccccc32)[cH-]c2ccccc12.[Cl-].[Cl-].[Zr+4] |
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| InChI | InChI=1S/C26H30O2Si.2ClH.Zr/c1-27-15-13-20-18-25(23-12-8-7-11-22(20)23)29(3,4)26-17-19-9-5-6-10-21(19)24(26)14-16-28-2;;;/h5-12,17-18H,13-16H2,1-4H3;2*1H;/q-2;;;+4/p-2 |
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| InChIKey | OJWZBFCGYPAKLZ-UHFFFAOYSA-L |
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| XLogP | -1.36 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 564.74 |
| LogP ≤ 5 | -1.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 [3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride?
The IUPAC name of [3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride (CID 87438413) is [3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride.
What is the SMILES notation for [3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride?
The canonical SMILES for [3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride is COCCc1c([Si](C)(C)[c-]2cc(CCOC)c3ccccc32)[cH-]c2ccccc12.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of [3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride?
The InChIKey is OJWZBFCGYPAKLZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H30O2Si.2ClH.Zr/c1-27-15-13-20-18-25(23-12-8-7-11-22(20)23)29(3,4)26-17-19-9-5-6-10-21(19)24(26)14-16-28-2;;;/h5-12,17-18H,13-16H2,1-4H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of [3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride?
[3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride has a molecular weight of 564.74 g/mol, XLogP of -1.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethyl)inden-1-id-1-yl]-[3-(2-methoxyethyl)-1H-inden-1-id-2-yl]-dimethylsilane;zirconium(4+);dichloride is sourced from PubChem (CID 87438413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).