2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride

C15H21Cl2OSiZr — CID 87936010

About 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride

2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride (PubChem CID 87936010) has the molecular formula C15H21Cl2OSiZr and a molecular weight of 407.55 g/mol. Its IUPAC name is 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride.

Molecular Properties

• Compound Name: 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride
• PubChem CID: 87936010
• Molecular Formula: C15H21Cl2OSiZr
• Molecular Weight: 407.55 g/mol
• Exact Mass: 404.98
• IUPAC Name: 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride
• SMILES: C[Si](C)(C)OCCC1=CCC(C2=[C-]CC=C2)=C1.[Cl-].[Cl-].[Zr+3]
• InChI: InChI=1S/C15H21OSi.2ClH.Zr/c1-17(2,3)16-11-10-13-8-9-15(12-13)14-6-4-5-7-14;;;/h4,6,8,12H,5,9-11H2,1-3H3;2*1H;/q-1;;;+3/p-2
• InChIKey: AFTCMRINAQXRHB-UHFFFAOYSA-L
• XLogP: -1.82
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.55
LogP ≤ 5	-1.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride?

The IUPAC name of 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride (CID 87936010) is 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride.

What is the SMILES notation for 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride?

The canonical SMILES for 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride is C[Si](C)(C)OCCC1=CCC(C2=[C-]CC=C2)=C1.[Cl-].[Cl-].[Zr+3].

What is the InChIKey of 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride?

The InChIKey is AFTCMRINAQXRHB-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H21OSi.2ClH.Zr/c1-17(2,3)16-11-10-13-8-9-15(12-13)14-6-4-5-7-14;;;/h4,6,8,12H,5,9-11H2,1-3H3;2*1H;/q-1;;;+3/p-2.

What are the key properties of 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride?

2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride has a molecular weight of 407.55 g/mol, XLogP of -1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethoxy-trimethylsilane;zirconium(3+);dichloride is sourced from PubChem (CID 87936010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).