dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride

C20H36Cl2Si3Zr-2 — CID 22622850

About dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride

dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride (PubChem CID 22622850) has the molecular formula C20H36Cl2Si3Zr-2 and a molecular weight of 522.90 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride.

Molecular Properties

• Compound Name: dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride
• PubChem CID: 22622850
• Molecular Formula: C20H36Cl2Si3Zr-2
• Molecular Weight: 522.90 g/mol
• Exact Mass: 520.06
• IUPAC Name: dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride
• SMILES: CC1=CC([Si](C)(C)C)[C-]=C1.CC1=[C-]CC([Si](C)(C)C)=C1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
• InChI: InChI=1S/2C9H15Si.C2H6Si.2ClH.Zr/c2*1-8-5-6-9(7-8)10(2,3)4;1-3-2;;;/h7H,6H2,1-4H3;5,7,9H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: CDQAFSFTRDMEMP-UHFFFAOYSA-L
• XLogP: 0.75
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.90
LogP ≤ 5	0.75
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+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride?

The IUPAC name of dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride (CID 22622850) is dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride.

What is the SMILES notation for dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride?

The canonical SMILES for dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride is CC1=CC([Si](C)(C)C)[C-]=C1.CC1=[C-]CC([Si](C)(C)C)=C1.C[Si](C)=[Zr+2].[Cl-].[Cl-].

What is the InChIKey of dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride?

The InChIKey is CDQAFSFTRDMEMP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H15Si.C2H6Si.2ClH.Zr/c2*1-8-5-6-9(7-8)10(2,3)4;1-3-2;;;/h7H,6H2,1-4H3;5,7,9H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride?

dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride has a molecular weight of 522.90 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride is sourced from PubChem (CID 22622850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).