bis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride

C22H42Cl2Si4Zr — CID 18448240

IUPACbis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride
SMILESC[Si](C)(C)C1=[C-]CC=C1[Si](C)(C)C.C[Si](C)(C)C1=[C-]CC=C1[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C11H21Si2.2ClH.Zr/c2*1-12(2,3)10-8-7-9-11(10)13(4,5)6;;;/h2*8H,7H2,1-6H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyMBOBJKWBLQNWAY-UHFFFAOYSA-L
MW581.05 g/mol
LogP1.61
Rot. Bonds4

About bis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride

bis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride (PubChem CID 18448240) has the molecular formula C22H42Cl2Si4Zr and a molecular weight of 581.05 g/mol. Its IUPAC name is bis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride
PubChem CID18448240
Molecular FormulaC22H42Cl2Si4Zr
Molecular Weight581.05 g/mol
Exact Mass578.08
IUPAC Namebis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride
SMILESC[Si](C)(C)C1=[C-]CC=C1[Si](C)(C)C.C[Si](C)(C)C1=[C-]CC=C1[Si](C)(C)C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C11H21Si2.2ClH.Zr/c2*1-12(2,3)10-8-7-9-11(10)13(4,5)6;;;/h2*8H,7H2,1-6H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyMBOBJKWBLQNWAY-UHFFFAOYSA-L
XLogP1.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.05
LogP ≤ 51.61
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(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride?
The IUPAC name of bis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride (CID 18448240) is bis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride.
What is the SMILES notation for bis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride?
The canonical SMILES for bis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride is C[Si](C)(C)C1=[C-]CC=C1[Si](C)(C)C.C[Si](C)(C)C1=[C-]CC=C1[Si](C)(C)C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride?
The InChIKey is MBOBJKWBLQNWAY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H21Si2.2ClH.Zr/c2*1-12(2,3)10-8-7-9-11(10)13(4,5)6;;;/h2*8H,7H2,1-6H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride?
bis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride has a molecular weight of 581.05 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethyl-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride is sourced from PubChem (CID 18448240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).