About (5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride (PubChem CID 87935844) has the molecular formula C19H24Cl2O2SiZr
and a molecular weight of 474.62 g/mol. Its IUPAC name is (5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride.
Molecular Properties
| Compound Name | (5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride |
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| PubChem CID | 87935844 |
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| Molecular Formula | C19H24Cl2O2SiZr |
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| Molecular Weight | 474.62 g/mol |
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| Exact Mass | 472.00 |
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| IUPAC Name | (5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride |
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| SMILES | COC1=[C-]CC=C1O[Si](C)(C)C.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4] |
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| InChI | InChI=1S/C10H9.C9H15O2Si.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-10-8-6-5-7-9(8)11-12(2,3)4;;;/h2-7H,1H3;7H,5H2,1-4H3;2*1H;/q2*-1;;;+4/p-2 |
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| InChIKey | PMBKAVXVZURXOU-UHFFFAOYSA-L |
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| XLogP | -0.67 |
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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 | 3 |
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| Heavy Atoms | 25 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 474.62 |
| LogP ≤ 5 | -0.67 |
| 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 (5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
The IUPAC name of (5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride (CID 87935844) is (5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride.
What is the SMILES notation for (5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
The canonical SMILES for (5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride is COC1=[C-]CC=C1O[Si](C)(C)C.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of (5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
The InChIKey is PMBKAVXVZURXOU-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.C9H15O2Si.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-10-8-6-5-7-9(8)11-12(2,3)4;;;/h2-7H,1H3;7H,5H2,1-4H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of (5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride?
(5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride has a molecular weight of 474.62 g/mol, XLogP of -0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride is sourced from PubChem (CID 87935844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).