About [1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride
[1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride (PubChem CID 87935893) has the molecular formula C29H31Cl2O2SiZr-
and a molecular weight of 601.78 g/mol. Its IUPAC name is [1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride.
Molecular Properties
| Compound Name | [1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride |
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| PubChem CID | 87935893 |
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| Molecular Formula | C29H31Cl2O2SiZr- |
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| Molecular Weight | 601.78 g/mol |
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| Exact Mass | 599.05 |
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| IUPAC Name | [1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride |
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| SMILES | CC(C)=[Zr+2].COC1=C(O[Si](C)(C)C)C(c2cccc3c2[cH-]c2ccccc23)c2ccccc21.[Cl-].[Cl-] |
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| InChI | InChI=1S/C26H25O2Si.C3H6.2ClH.Zr/c1-27-25-22-13-8-7-12-20(22)24(26(25)28-29(2,3)4)21-15-9-14-19-18-11-6-5-10-17(18)16-23(19)21;1-3-2;;;/h5-16,24H,1-4H3;1-2H3;2*1H;/q-1;;;;+2/p-2 |
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| InChIKey | ILSKKHOLNLVPJZ-UHFFFAOYSA-L |
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| XLogP | 1.78 |
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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 | 4 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 601.78 |
| LogP ≤ 5 | 1.78 |
| 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 [1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
The IUPAC name of [1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride (CID 87935893) is [1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride.
What is the SMILES notation for [1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
The canonical SMILES for [1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride is CC(C)=[Zr+2].COC1=C(O[Si](C)(C)C)C(c2cccc3c2[cH-]c2ccccc23)c2ccccc21.[Cl-].[Cl-].
What is the InChIKey of [1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
The InChIKey is ILSKKHOLNLVPJZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H25O2Si.C3H6.2ClH.Zr/c1-27-25-22-13-8-7-12-20(22)24(26(25)28-29(2,3)4)21-15-9-14-19-18-11-6-5-10-17(18)16-23(19)21;1-3-2;;;/h5-16,24H,1-4H3;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of [1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
[1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride has a molecular weight of 601.78 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride is sourced from PubChem (CID 87935893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).