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

C22H38Cl2O4Si3Zr — CID 87936612

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

dimethyl-bis[5-(2-trimethylsilyloxyethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride (PubChem CID 87936612) has the molecular formula C22H38Cl2O4Si3Zr and a molecular weight of 612.93 g/mol. Its IUPAC name is dimethyl-bis[5-(2-trimethylsilyloxyethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride.

Molecular Properties

• Compound Name: dimethyl-bis[5-(2-trimethylsilyloxyethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride
• PubChem CID: 87936612
• Molecular Formula: C22H38Cl2O4Si3Zr
• Molecular Weight: 612.93 g/mol
• Exact Mass: 610.05
• IUPAC Name: dimethyl-bis[5-(2-trimethylsilyloxyethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride
• SMILES: C[Si](C)(C)OCCOC1=[C-]CC=C1[Si](C)(C)C1=CC[C-]=C1OCCO[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
• InChI: InChI=1S/C22H38O4Si3.2ClH.Zr/c1-27(2,3)25-17-15-23-19-11-9-13-21(19)29(7,8)22-14-10-12-20(22)24-16-18-26-28(4,5)6;;;/h13-14H,9-10,15-18H2,1-8H3;2*1H;/q-2;;;+4/p-2
• InChIKey: HYCVKBOUYKRKMH-UHFFFAOYSA-L
• XLogP: -0.45
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	612.93
LogP ≤ 5	-0.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-trimethylsilyloxyethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride?

The IUPAC name of dimethyl-bis[5-(2-trimethylsilyloxyethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride (CID 87936612) is dimethyl-bis[5-(2-trimethylsilyloxyethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride.

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

The canonical SMILES for dimethyl-bis[5-(2-trimethylsilyloxyethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride is C[Si](C)(C)OCCOC1=[C-]CC=C1[Si](C)(C)C1=CC[C-]=C1OCCO[Si](C)(C)C.[Cl-].[Cl-].[Zr+4].

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

The InChIKey is HYCVKBOUYKRKMH-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H38O4Si3.2ClH.Zr/c1-27(2,3)25-17-15-23-19-11-9-13-21(19)29(7,8)22-14-10-12-20(22)24-16-18-26-28(4,5)6;;;/h13-14H,9-10,15-18H2,1-8H3;2*1H;/q-2;;;+4/p-2.

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

dimethyl-bis[5-(2-trimethylsilyloxyethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride has a molecular weight of 612.93 g/mol, XLogP of -0.45, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-bis[5-(2-trimethylsilyloxyethoxy)cyclopenta-1,4-dien-1-yl]silane;zirconium(4+);dichloride is sourced from PubChem (CID 87936612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).