About [1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium
[1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium (PubChem CID 87935836) has the molecular formula C27H34Cl2OSi2Zr
and a molecular weight of 592.87 g/mol. Its IUPAC name is [1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium.
Molecular Properties
| Compound Name | [1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium |
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| PubChem CID | 87935836 |
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| Molecular Formula | C27H34Cl2OSi2Zr |
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| Molecular Weight | 592.87 g/mol |
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| Exact Mass | 590.06 |
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| IUPAC Name | [1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium |
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| SMILES | CC(O[Si](C)(C)C)[Si](C)(C)C1(Cl)C(CC2=Cc3ccccc3C2(C)Cl)=Cc2ccccc21.[Zr] |
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| InChI | InChI=1S/C27H34Cl2OSi2.Zr/c1-19(30-31(3,4)5)32(6,7)27(29)23(17-21-13-9-11-15-25(21)27)18-22-16-20-12-8-10-14-24(20)26(22,2)28;/h8-17,19H,18H2,1-7H3; |
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| InChIKey | PIYQBEUUGNPIEF-UHFFFAOYSA-N |
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| XLogP | 8.48 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 592.87 |
| LogP ≤ 5 | 8.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium?
The IUPAC name of [1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium (CID 87935836) is [1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium.
What is the SMILES notation for [1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium?
The canonical SMILES for [1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium is CC(O[Si](C)(C)C)[Si](C)(C)C1(Cl)C(CC2=Cc3ccccc3C2(C)Cl)=Cc2ccccc21.[Zr].
What is the InChIKey of [1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium?
The InChIKey is PIYQBEUUGNPIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34Cl2OSi2.Zr/c1-19(30-31(3,4)5)32(6,7)27(29)23(17-21-13-9-11-15-25(21)27)18-22-16-20-12-8-10-14-24(20)26(22,2)28;/h8-17,19H,18H2,1-7H3;.
What are the key properties of [1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium?
[1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium has a molecular weight of 592.87 g/mol, XLogP of 8.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-2-[(1-chloro-1-methylinden-2-yl)methyl]inden-1-yl]-dimethyl-(1-trimethylsilyloxyethyl)silane;zirconium is sourced from PubChem (CID 87935836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).