dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride

C28H36Cl2SiZr-2 — CID 159142372

About dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride

dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride (PubChem CID 159142372) has the molecular formula C28H36Cl2SiZr-2 and a molecular weight of 562.81 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride.

Molecular Properties

• Compound Name: dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
• PubChem CID: 159142372
• Molecular Formula: C28H36Cl2SiZr-2
• Molecular Weight: 562.81 g/mol
• Exact Mass: 560.10
• IUPAC Name: dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
• SMILES: C[Si](C)=[Zr+2].Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]
• InChI: InChI=1S/C16H21.C10H9.C2H6Si.2ClH.Zr/c1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h6-11H,1-5H3;2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: CVEOALCSKDTEKT-UHFFFAOYSA-L
• XLogP: 2.77
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.81
LogP ≤ 5	2.77
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'}

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride?

The IUPAC name of dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride (CID 159142372) is dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride.

What is the SMILES notation for dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride?

The canonical SMILES for dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride is C[Si](C)=[Zr+2].Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].

What is the InChIKey of dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride?

The InChIKey is CVEOALCSKDTEKT-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H21.C10H9.C2H6Si.2ClH.Zr/c1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h6-11H,1-5H3;2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride?

dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride has a molecular weight of 562.81 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride is sourced from PubChem (CID 159142372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).