About (4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride
(4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride (PubChem CID 87730660) has the molecular formula C30H28Cl2SiZr-2
and a molecular weight of 578.77 g/mol. Its IUPAC name is (4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride.
Molecular Properties
| Compound Name | (4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride |
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| PubChem CID | 87730660 |
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| Molecular Formula | C30H28Cl2SiZr-2 |
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| Molecular Weight | 578.77 g/mol |
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| Exact Mass | 576.04 |
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| IUPAC Name | (4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride |
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| SMILES | C[Si](C)=[Zr+2].Cc1ccc2c(c1)[C-]=C1C=CC=CC12.Cc1ccc2c(c1)[C-]=C1C=CC=C[C@@H]12.[Cl-].[Cl-] |
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| InChI | InChI=1S/2C14H11.C2H6Si.2ClH.Zr/c2*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;1-3-2;;;/h2*2-8,13H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2/t13-;;;;;/m0...../s1 |
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| InChIKey | FTOYQERDRNGZOW-VFZNITTPSA-L |
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| XLogP | 1.38 |
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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 | |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 578.77 |
| LogP ≤ 5 | 1.38 |
| 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 (4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride?
The IUPAC name of (4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride (CID 87730660) is (4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride.
What is the SMILES notation for (4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride?
The canonical SMILES for (4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride is C[Si](C)=[Zr+2].Cc1ccc2c(c1)[C-]=C1C=CC=CC12.Cc1ccc2c(c1)[C-]=C1C=CC=C[C@@H]12.[Cl-].[Cl-].
What is the InChIKey of (4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride?
The InChIKey is FTOYQERDRNGZOW-VFZNITTPSA-L. The full InChI is InChI=1S/2C14H11.C2H6Si.2ClH.Zr/c2*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;1-3-2;;;/h2*2-8,13H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2/t13-;;;;;/m0...../s1.
What are the key properties of (4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride?
(4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride has a molecular weight of 578.77 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-7-methyl-4a,9-dihydrofluoren-9-ide;dimethylsilylidenezirconium(2+);7-methyl-4a,9-dihydrofluoren-9-ide;dichloride is sourced from PubChem (CID 87730660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).