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

C26H32Cl2SiZr-2 — CID 161077385

IUPACdipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
SMILESCCC[Si](=[Zr+2])CCC.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/2C10H9.C6H14Si.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-5-7-6-4-2;;;/h2*2-7H,1H3;3-6H2,1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOGDGVSPHVTUDFX-UHFFFAOYSA-L
MW534.76 g/mol
LogP2.09
Rot. Bonds4

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

dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride (PubChem CID 161077385) has the molecular formula C26H32Cl2SiZr-2 and a molecular weight of 534.76 g/mol. Its IUPAC name is dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
PubChem CID161077385
Molecular FormulaC26H32Cl2SiZr-2
Molecular Weight534.76 g/mol
Exact Mass532.07
IUPAC Namedipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
SMILESCCC[Si](=[Zr+2])CCC.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/2C10H9.C6H14Si.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-5-7-6-4-2;;;/h2*2-7H,1H3;3-6H2,1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOGDGVSPHVTUDFX-UHFFFAOYSA-L
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.76
LogP ≤ 52.09
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

diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
CID 160943291
bis(2-methyl-1H-inden-1-ide);[methyl(trimethylsilyl)silylidene]zirconium(2+);dichloride
CID 161478102
CID 157447863
CID 157447863
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
CID 173020208
CID 173020208
1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;dichloride
CID 172816212
ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414
diethylphosphane;2-methyl-1H-inden-1-ide;zirconium(4+);trichloride
CID 158338912
CID 87864757
CID 87864757
meso-Dimethylsilyl-bis-(2-methylindenyl)zirconium dichloride
CID 132989110
diphenylsilylidenehafnium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
CID 87676842

Frequently Asked Questions

What is the IUPAC name of dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride?
The IUPAC name of dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride (CID 161077385) is dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride?
The canonical SMILES for dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride is CCC[Si](=[Zr+2])CCC.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride?
The InChIKey is OGDGVSPHVTUDFX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H9.C6H14Si.2ClH.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-5-7-6-4-2;;;/h2*2-7H,1H3;3-6H2,1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride?
dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride has a molecular weight of 534.76 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylsilylidenezirconium(2+);bis(2-methyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 161077385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).