About butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)
butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) (PubChem CID 150271054) has the molecular formula C39H48SiZr
and a molecular weight of 636.12 g/mol. Its IUPAC name is butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+).
Molecular Properties
| Compound Name | butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) |
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| PubChem CID | 150271054 |
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| Molecular Formula | C39H48SiZr |
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| Molecular Weight | 636.12 g/mol |
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| Exact Mass | 634.26 |
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| IUPAC Name | butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) |
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| SMILES | CCc1[c-]c2ccccc2c(-c2ccccc2)c1.CCc1cc2ccccc2[cH-]1.C[CH-]CCC(C)=[SiH2].[CH2-]CCC.[Zr+4] |
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| InChI | InChI=1S/C18H15.C11H11.C6H13Si.C4H9.Zr/c1-2-14-12-16-10-6-7-11-17(16)18(13-14)15-8-4-3-5-9-15;1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-4-5-6(2)7;1-3-4-2;/h3-11,13H,2H2,1H3;3-8H,2H2,1H3;3H,4-5,7H2,1-2H3;1,3-4H2,2H3;/q4*-1;+4 |
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| InChIKey | UBPFKVCOJRSGHS-UHFFFAOYSA-N |
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| XLogP | 10.42 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 636.12 |
| LogP ≤ 5 | 10.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)?
The IUPAC name of butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) (CID 150271054) is butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+).
What is the SMILES notation for butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)?
The canonical SMILES for butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) is CCc1[c-]c2ccccc2c(-c2ccccc2)c1.CCc1cc2ccccc2[cH-]1.C[CH-]CCC(C)=[SiH2].[CH2-]CCC.[Zr+4].
What is the InChIKey of butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)?
The InChIKey is UBPFKVCOJRSGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15.C11H11.C6H13Si.C4H9.Zr/c1-2-14-12-16-10-6-7-11-17(16)18(13-14)15-8-4-3-5-9-15;1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-4-5-6(2)7;1-3-4-2;/h3-11,13H,2H2,1H3;3-8H,2H2,1H3;3H,4-5,7H2,1-2H3;1,3-4H2,2H3;/q4*-1;+4.
What are the key properties of butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)?
butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) has a molecular weight of 636.12 g/mol, XLogP of 10.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) is sourced from PubChem (CID 150271054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).