dimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride

C22H24Cl2O2SiZr-2 — CID 159573586

IUPACdimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride
SMILESCOc1ccc2[cH-]ccc2c1.COc1ccc2[cH-]ccc2c1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C10H9O.C2H6Si.2ClH.Zr/c2*1-11-10-6-5-8-3-2-4-9(8)7-10;1-3-2;;;/h2*2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyUFMYLBLFDXBPRY-UHFFFAOYSA-L
MW510.65 g/mol
LogP-0.07
Rot. Bonds2

About dimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride

dimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride (PubChem CID 159573586) has the molecular formula C22H24Cl2O2SiZr-2 and a molecular weight of 510.65 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride
PubChem CID159573586
Molecular FormulaC22H24Cl2O2SiZr-2
Molecular Weight510.65 g/mol
Exact Mass508.00
IUPAC Namedimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride
SMILESCOc1ccc2[cH-]ccc2c1.COc1ccc2[cH-]ccc2c1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C10H9O.C2H6Si.2ClH.Zr/c2*1-11-10-6-5-8-3-2-4-9(8)7-10;1-3-2;;;/h2*2-7H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyUFMYLBLFDXBPRY-UHFFFAOYSA-L
XLogP-0.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.65
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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(5-methoxy-1H-inden-1-ide);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride (CID 159573586) is dimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride is COc1ccc2[cH-]ccc2c1.COc1ccc2[cH-]ccc2c1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride?
The InChIKey is UFMYLBLFDXBPRY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H9O.C2H6Si.2ClH.Zr/c2*1-11-10-6-5-8-3-2-4-9(8)7-10;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(5-methoxy-1H-inden-1-ide);dichloride?
dimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride has a molecular weight of 510.65 g/mol, XLogP of -0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(5-methoxy-1H-inden-1-ide);dichloride is sourced from PubChem (CID 159573586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).