dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride

C38H56Cl2SiZr-2 — CID 158166164

IUPACdimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride
SMILESCC(C)c1cc(C(C)C)c2cc(C(C)C)[cH-]c2c1.CC(C)c1cc(C(C)C)c2cc(C(C)C)[cH-]c2c1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C18H25.C2H6Si.2ClH.Zr/c2*1-11(2)14-7-16-8-15(12(3)4)10-18(16)17(9-14)13(5)6;1-3-2;;;/h2*7-13H,1-6H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyRPXIBLDBWZSRDO-UHFFFAOYSA-L
MW703.08 g/mol
LogP6.65
Rot. Bonds6

About dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride

dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride (PubChem CID 158166164) has the molecular formula C38H56Cl2SiZr-2 and a molecular weight of 703.08 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride
PubChem CID158166164
Molecular FormulaC38H56Cl2SiZr-2
Molecular Weight703.08 g/mol
Exact Mass700.26
IUPAC Namedimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride
SMILESCC(C)c1cc(C(C)C)c2cc(C(C)C)[cH-]c2c1.CC(C)c1cc(C(C)C)c2cc(C(C)C)[cH-]c2c1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C18H25.C2H6Si.2ClH.Zr/c2*1-11(2)14-7-16-8-15(12(3)4)10-18(16)17(9-14)13(5)6;1-3-2;;;/h2*7-13H,1-6H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyRPXIBLDBWZSRDO-UHFFFAOYSA-L
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.08
LogP ≤ 56.65
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

dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
CID 159142372
dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)
CID 173247752
carbanide;ethene;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);zirconium(3+)
CID 161496120
bis(dimethylsilylidenezirconium(2+));tetrakis(2-propan-2-yl-1H-inden-1-ide);dichloride
CID 21261068
dimethylsilylidenezirconium(2+);bis(5-(2-propan-2-yl-1H-inden-1-id-4-yl)acenaphthylene);dichloride
CID 87709209
CID 174380723
CID 174380723
CID 173229784
CID 173229784
CID 173312539
CID 173312539
CID 174379553
CID 174379553
CID 173263867
CID 173263867
CID 173263595
CID 173263595
CID 23175245
CID 23175245

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride (CID 158166164) is dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride is CC(C)c1cc(C(C)C)c2cc(C(C)C)[cH-]c2c1.CC(C)c1cc(C(C)C)c2cc(C(C)C)[cH-]c2c1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride?
The InChIKey is RPXIBLDBWZSRDO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H25.C2H6Si.2ClH.Zr/c2*1-11(2)14-7-16-8-15(12(3)4)10-18(16)17(9-14)13(5)6;1-3-2;;;/h2*7-13H,1-6H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride?
dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride has a molecular weight of 703.08 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride is sourced from PubChem (CID 158166164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).