3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride

C28H34Cl2SiZr-2 — CID 159471115

IUPAC3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
SMILESCC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Zr+2].Cc1cccc(C)c1-c1c[cH-]c2ccccc12.[Cl-].[Cl-]
InChIInChI=1S/C17H15.C9H13.C2H6Si.2ClH.Zr/c1-12-6-5-7-13(2)17(12)16-11-10-14-8-3-4-9-15(14)16;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h3-11H,1-2H3;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOOQAXEWEOYZAOS-UHFFFAOYSA-L
MW560.80 g/mol
LogP2.36
Rot. Bonds1

About 3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride

3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride (PubChem CID 159471115) has the molecular formula C28H34Cl2SiZr-2 and a molecular weight of 560.80 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
PubChem CID159471115
Molecular FormulaC28H34Cl2SiZr-2
Molecular Weight560.80 g/mol
Exact Mass558.09
IUPAC Name3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
SMILESCC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Zr+2].Cc1cccc(C)c1-c1c[cH-]c2ccccc12.[Cl-].[Cl-]
InChIInChI=1S/C17H15.C9H13.C2H6Si.2ClH.Zr/c1-12-6-5-7-13(2)17(12)16-11-10-14-8-3-4-9-15(14)16;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h3-11H,1-2H3;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOOQAXEWEOYZAOS-UHFFFAOYSA-L
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.80
LogP ≤ 52.36
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 3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The IUPAC name of 3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride (CID 159471115) is 3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride is CC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Zr+2].Cc1cccc(C)c1-c1c[cH-]c2ccccc12.[Cl-].[Cl-].
What is the InChIKey of 3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The InChIKey is OOQAXEWEOYZAOS-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H15.C9H13.C2H6Si.2ClH.Zr/c1-12-6-5-7-13(2)17(12)16-11-10-14-8-3-4-9-15(14)16;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h3-11H,1-2H3;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride has a molecular weight of 560.80 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 159471115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).