bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride

C24H44Cl2Si2Zr — CID 173283440

IUPACbis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride
SMILESCC1=[C-]CC(C(C)(C)C)=C1.CC1=[C-]CC(C(C)(C)C)=C1.C[SiH2][Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C10H15.C4H14Si2.2ClH.Zr/c2*1-8-5-6-9(7-8)10(2,3)4;1-5-6(2,3)4;;;/h2*7H,6H2,1-4H3;5H2,1-4H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyQIURNTAWTLBORD-UHFFFAOYSA-L
MW550.92 g/mol
LogP1.27
Rot. Bonds1

About bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride

bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride (PubChem CID 173283440) has the molecular formula C24H44Cl2Si2Zr and a molecular weight of 550.92 g/mol. Its IUPAC name is bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride
PubChem CID173283440
Molecular FormulaC24H44Cl2Si2Zr
Molecular Weight550.92 g/mol
Exact Mass548.14
IUPAC Namebis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride
SMILESCC1=[C-]CC(C(C)(C)C)=C1.CC1=[C-]CC(C(C)(C)C)=C1.C[SiH2][Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C10H15.C4H14Si2.2ClH.Zr/c2*1-8-5-6-9(7-8)10(2,3)4;1-5-6(2,3)4;;;/h2*7H,6H2,1-4H3;5H2,1-4H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyQIURNTAWTLBORD-UHFFFAOYSA-L
XLogP1.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.92
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride?
The IUPAC name of bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride (CID 173283440) is bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride.
What is the SMILES notation for bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride?
The canonical SMILES for bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride is CC1=[C-]CC(C(C)(C)C)=C1.CC1=[C-]CC(C(C)(C)C)=C1.C[SiH2][Si](C)(C)C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride?
The InChIKey is QIURNTAWTLBORD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.C4H14Si2.2ClH.Zr/c2*1-8-5-6-9(7-8)10(2,3)4;1-5-6(2,3)4;;;/h2*7H,6H2,1-4H3;5H2,1-4H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride?
bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride has a molecular weight of 550.92 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-3-methylcyclopenta-1,3-diene);trimethyl(methylsilyl)silane;zirconium(4+);dichloride is sourced from PubChem (CID 173283440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).