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

C24H44Cl2O2Si2Zr — CID 87935984

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

bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dihydrochloride (PubChem CID 87935984) has the molecular formula C24H44Cl2O2Si2Zr and a molecular weight of 582.92 g/mol. Its IUPAC name is bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dihydrochloride.

Molecular Properties

• Compound Name: bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dihydrochloride
• PubChem CID: 87935984
• Molecular Formula: C24H44Cl2O2Si2Zr
• Molecular Weight: 582.92 g/mol
• Exact Mass: 580.13
• IUPAC Name: bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dihydrochloride
• 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
• InChIKey: GXIZOLNMOPIAOB-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.92
LogP ≤ 5	7.81
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+);dihydrochloride?

The IUPAC name of bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dihydrochloride (CID 87935984) is bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dihydrochloride.

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

The canonical SMILES for bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dihydrochloride 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+);dihydrochloride?

The InChIKey is GXIZOLNMOPIAOB-UHFFFAOYSA-N. 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.

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

bis(1-cyclopenta-1,4-dien-1-ylpropan-2-yloxy(trimethyl)silane);ethylidenezirconium(2+);dihydrochloride has a molecular weight of 582.92 g/mol, XLogP of 7.81, 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+);dihydrochloride is sourced from PubChem (CID 87935984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).