dimethyl-bis[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride

C22H38Cl2O2Si3Zr — CID 87935908

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

dimethyl-bis[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride (PubChem CID 87935908) has the molecular formula C22H38Cl2O2Si3Zr and a molecular weight of 580.93 g/mol. Its IUPAC name is dimethyl-bis[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride.

Molecular Properties

• Compound Name: dimethyl-bis[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride
• PubChem CID: 87935908
• Molecular Formula: C22H38Cl2O2Si3Zr
• Molecular Weight: 580.93 g/mol
• Exact Mass: 578.06
• IUPAC Name: dimethyl-bis[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride
• SMILES: C[Si](C)(C)OCCC1=CC[C-]=C1[Si](C)(C)C1=[C-]CC=C1CCO[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
• InChI: InChI=1S/C22H38O2Si3.2ClH.Zr/c1-25(2,3)23-17-15-19-11-9-13-21(19)27(7,8)22-14-10-12-20(22)16-18-24-26(4,5)6;;;/h11-12H,9-10,15-18H2,1-8H3;2*1H;/q-2;;;+4/p-2
• InChIKey: YKONISGLUGDMDG-UHFFFAOYSA-L
• XLogP: 0.38
• 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	580.93
LogP ≤ 5	0.38
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 dimethyl-bis[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride?

The IUPAC name of dimethyl-bis[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride (CID 87935908) is dimethyl-bis[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride.

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

The canonical SMILES for dimethyl-bis[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride is C[Si](C)(C)OCCC1=CC[C-]=C1[Si](C)(C)C1=[C-]CC=C1CCO[Si](C)(C)C.[Cl-].[Cl-].[Zr+4].

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

The InChIKey is YKONISGLUGDMDG-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H38O2Si3.2ClH.Zr/c1-25(2,3)23-17-15-19-11-9-13-21(19)27(7,8)22-14-10-12-20(22)16-18-24-26(4,5)6;;;/h11-12H,9-10,15-18H2,1-8H3;2*1H;/q-2;;;+4/p-2.

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

dimethyl-bis[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride has a molecular weight of 580.93 g/mol, XLogP of 0.38, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-bis[5-(2-trimethylsilyloxyethyl)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride is sourced from PubChem (CID 87935908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).