dimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride

C26H32Cl2SiZr-2 — CID 160527249

IUPACdimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride
SMILESCC(C)c1c[cH-]c2ccccc12.CC(C)c1c[cH-]c2ccccc12.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C12H13.C2H6Si.2ClH.Zr/c2*1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-3-2;;;/h2*3-9H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeySQRSBQXKJAKFAF-UHFFFAOYSA-L
MW534.76 g/mol
LogP2.16
Rot. Bonds2

About dimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride

dimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride (PubChem CID 160527249) has the molecular formula C26H32Cl2SiZr-2 and a molecular weight of 534.76 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride
PubChem CID160527249
Molecular FormulaC26H32Cl2SiZr-2
Molecular Weight534.76 g/mol
Exact Mass532.07
IUPAC Namedimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride
SMILESCC(C)c1c[cH-]c2ccccc12.CC(C)c1c[cH-]c2ccccc12.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C12H13.C2H6Si.2ClH.Zr/c2*1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-3-2;;;/h2*3-9H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeySQRSBQXKJAKFAF-UHFFFAOYSA-L
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.76
LogP ≤ 52.16
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(3-propan-2-yl-1H-inden-1-ide);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride (CID 160527249) is dimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride is CC(C)c1c[cH-]c2ccccc12.CC(C)c1c[cH-]c2ccccc12.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride?
The InChIKey is SQRSBQXKJAKFAF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H13.C2H6Si.2ClH.Zr/c2*1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-3-2;;;/h2*3-9H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride?
dimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride has a molecular weight of 534.76 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(3-propan-2-yl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 160527249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).