bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride

C24H42Cl2O2Si2Zr-2 — CID 87935986

About bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride

bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride (PubChem CID 87935986) has the molecular formula C24H42Cl2O2Si2Zr-2 and a molecular weight of 580.90 g/mol. Its IUPAC name is bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride.

Molecular Properties

• Compound Name: bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride
• PubChem CID: 87935986
• Molecular Formula: C24H42Cl2O2Si2Zr-2
• Molecular Weight: 580.90 g/mol
• Exact Mass: 578.12
• IUPAC Name: bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride
• SMILES: CC(CC1=[C-]CC=C1)O[Si](C)(C)C.CC(CC1=[C-]CC=C1)O[Si](C)(C)C.CC=[Zr+2].[Cl-].[Cl-]
• InChI: InChI=1S/2C11H19OSi.C2H4.2ClH.Zr/c2*1-10(12-13(2,3)4)9-11-7-5-6-8-11;1-2;;;/h2*5,7,10H,6,9H2,1-4H3;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: GXIZOLNMOPIAOB-UHFFFAOYSA-L
• XLogP: 0.98
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.90
LogP ≤ 5	0.98
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 bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride?

The IUPAC name of bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride (CID 87935986) is bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride.

What is the SMILES notation for bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride?

The canonical SMILES for bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride is CC(CC1=[C-]CC=C1)O[Si](C)(C)C.CC(CC1=[C-]CC=C1)O[Si](C)(C)C.CC=[Zr+2].[Cl-].[Cl-].

What is the InChIKey of bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride?

The InChIKey is GXIZOLNMOPIAOB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H19OSi.C2H4.2ClH.Zr/c2*1-10(12-13(2,3)4)9-11-7-5-6-8-11;1-2;;;/h2*5,7,10H,6,9H2,1-4H3;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride?

bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride has a molecular weight of 580.90 g/mol, XLogP of 0.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dichloride is sourced from PubChem (CID 87935986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).