trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride

C23H38Cl2O2Si2Zr — CID 87936101

About trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride

trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride (PubChem CID 87936101) has the molecular formula C23H38Cl2O2Si2Zr and a molecular weight of 564.86 g/mol. Its IUPAC name is trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride.

Molecular Properties

• Compound Name: trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride
• PubChem CID: 87936101
• Molecular Formula: C23H38Cl2O2Si2Zr
• Molecular Weight: 564.86 g/mol
• Exact Mass: 562.08
• IUPAC Name: trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride
• SMILES: CC(C)(C1=[C-]CC=C1CCO[Si](C)(C)C)C1=[C-]CC=C1CCO[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
• InChI: InChI=1S/C23H38O2Si2.2ClH.Zr/c1-23(2,21-13-9-11-19(21)15-17-24-26(3,4)5)22-14-10-12-20(22)16-18-25-27(6,7)8;;;/h11-12H,9-10,15-18H2,1-8H3;2*1H;/q-2;;;+4/p-2
• InChIKey: GAZZCHNXZZFPOR-UHFFFAOYSA-L
• XLogP: 0.62
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.86
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride?

The IUPAC name of trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride (CID 87936101) is trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride.

What is the SMILES notation for trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride?

The canonical SMILES for trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride is CC(C)(C1=[C-]CC=C1CCO[Si](C)(C)C)C1=[C-]CC=C1CCO[Si](C)(C)C.[Cl-].[Cl-].[Zr+4].

What is the InChIKey of trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride?

The InChIKey is GAZZCHNXZZFPOR-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H38O2Si2.2ClH.Zr/c1-23(2,21-13-9-11-19(21)15-17-24-26(3,4)5)22-14-10-12-20(22)16-18-25-27(6,7)8;;;/h11-12H,9-10,15-18H2,1-8H3;2*1H;/q-2;;;+4/p-2.

What are the key properties of trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride?

trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride has a molecular weight of 564.86 g/mol, XLogP of 0.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[5-[2-[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]ethoxy]silane;zirconium(4+);dichloride is sourced from PubChem (CID 87936101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).