dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride

C36H52Cl2SiZr-2 — CID 161403198

IUPACdimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
SMILESCCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C17H23.C2H6Si.2ClH.Zr/c2*1-4-5-6-7-8-15-10-9-14(3)16-11-13(2)12-17(15)16;1-3-2;;;/h2*9-12H,4-8H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyLZMCIFWMJFLGNW-UHFFFAOYSA-L
MW675.03 g/mol
LogP5.39
Rot. Bonds10

About dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride

dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride (PubChem CID 161403198) has the molecular formula C36H52Cl2SiZr-2 and a molecular weight of 675.03 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
PubChem CID161403198
Molecular FormulaC36H52Cl2SiZr-2
Molecular Weight675.03 g/mol
Exact Mass672.23
IUPAC Namedimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
SMILESCCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C17H23.C2H6Si.2ClH.Zr/c2*1-4-5-6-7-8-15-10-9-14(3)16-11-13(2)12-17(15)16;1-3-2;;;/h2*9-12H,4-8H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyLZMCIFWMJFLGNW-UHFFFAOYSA-L
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.03
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(dimethylsilylidenezirconium(2+));tetrakis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride
CID 22602465
dichlorozirconium;4-hexyl-2,7-dimethyl-1H-inden-1-ide
CID 174402976
CID 173193882
CID 173193882
bis(2,7-dimethyl-4-(2-phenylethyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+)
CID 158920886
CID 172801081
CID 172801081
bis(4-butan-2-yl-2,7-dimethyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 157327552
CID 87846848
CID 87846848
CID 159572183
CID 159572183
titanium(4+);bis(2,4,7-trimethyl-1H-inden-1-ide);dichloride
CID 174467662
tris(titanium(2+));tris(2,4,7-trimethyl-1H-inden-1-ide);trichloride
CID 19696978
titanium(4+);2,4,7-trimethyl-1H-inden-1-ide;trichloride
CID 160602181
7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide
CID 161230348

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride (CID 161403198) is dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride is CCCCCCc1ccc(C)c2[cH-]c(C)cc12.CCCCCCc1ccc(C)c2[cH-]c(C)cc12.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride?
The InChIKey is LZMCIFWMJFLGNW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H23.C2H6Si.2ClH.Zr/c2*1-4-5-6-7-8-15-10-9-14(3)16-11-13(2)12-17(15)16;1-3-2;;;/h2*9-12H,4-8H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride?
dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride has a molecular weight of 675.03 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(4-hexyl-2,7-dimethyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 161403198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).