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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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).