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

C23H26Cl2SiZr-2 — CID 160943291

IUPACdiethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
SMILESCC[Si](=[Zr+2])CC.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C10H9.C9H7.C4H10Si.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-2-5-9-7-3-6-8(9)4-1;1-3-5-4-2;;;/h2-7H,1H3;1-7H;3-4H2,1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyNJIAMIVSWUZWPT-UHFFFAOYSA-L
MW492.68 g/mol
LogP1.00
Rot. Bonds2

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

diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride (PubChem CID 160943291) has the molecular formula C23H26Cl2SiZr-2 and a molecular weight of 492.68 g/mol. Its IUPAC name is diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride.

Molecular Properties

Compound Namediethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
PubChem CID160943291
Molecular FormulaC23H26Cl2SiZr-2
Molecular Weight492.68 g/mol
Exact Mass490.02
IUPAC Namediethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
SMILESCC[Si](=[Zr+2])CC.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C10H9.C9H7.C4H10Si.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-2-5-9-7-3-6-8(9)4-1;1-3-5-4-2;;;/h2-7H,1H3;1-7H;3-4H2,1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyNJIAMIVSWUZWPT-UHFFFAOYSA-L
XLogP1.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.68
LogP ≤ 51.00
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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Related Compounds

dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
CID 161077385
CID 87108807
CID 87108807
2-ethyl-1H-inden-1-ide;1H-inden-1-ide;zirconium(4+);dichloride
CID 18369854
diphenylsilylidenehafnium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
CID 87676842
bis(2-methyl-1H-inden-1-ide);[methyl(trimethylsilyl)silylidene]zirconium(2+);dichloride
CID 161478102
CID 87107342
CID 87107342
CID 157447863
CID 157447863
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)
CID 173290342
1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
CID 172816212
bis(dimethylsilylidenehafnium(2+));tetrakis(1H-inden-1-ide);dichloride
CID 22347931

Frequently Asked Questions

What is the IUPAC name of diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride?
The IUPAC name of diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride (CID 160943291) is diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride.
What is the SMILES notation for diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride?
The canonical SMILES for diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride is CC[Si](=[Zr+2])CC.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.
What is the InChIKey of diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride?
The InChIKey is NJIAMIVSWUZWPT-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.C9H7.C4H10Si.2ClH.Zr/c1-8-6-9-4-2-3-5-10(9)7-8;1-2-5-9-7-3-6-8(9)4-1;1-3-5-4-2;;;/h2-7H,1H3;1-7H;3-4H2,1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride?
diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride has a molecular weight of 492.68 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride is sourced from PubChem (CID 160943291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).