dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride

C22H24Cl2SiZr-2 — CID 18369849

IUPACdimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/2C10H9.C2H6Si.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h2*2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyVVYCCHLSRSYDEK-UHFFFAOYSA-L
MW478.65 g/mol
LogP0.53
Rot. Bonds

About dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride

dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride (PubChem CID 18369849) has the molecular formula C22H24Cl2SiZr-2 and a molecular weight of 478.65 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
PubChem CID18369849
Molecular FormulaC22H24Cl2SiZr-2
Molecular Weight478.65 g/mol
Exact Mass476.01
IUPAC Namedimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/2C10H9.C2H6Si.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h2*2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyVVYCCHLSRSYDEK-UHFFFAOYSA-L
XLogP0.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.65
LogP ≤ 50.53
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 dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride (CID 18369849) is dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride is C[Si](C)=[Zr+2].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride?
The InChIKey is VVYCCHLSRSYDEK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H9.C2H6Si.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h2*2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride?
dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride has a molecular weight of 478.65 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 18369849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).