1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride

C24H34Cl2HfSi-2 — CID 18965641

IUPAC1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride
SMILESCC(C)(C)C1=CC=[C-]C1.CC(C)(C)c1c[cH-]c2ccccc12.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/C13H15.C9H13.C2H6Si.2ClH.Hf/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h4-9H,1-3H3;4,6H,7H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyASHBIVBWGSLPCF-UHFFFAOYSA-L
MW600.02 g/mol
LogP1.37
Rot. Bonds

About 1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride

1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride (PubChem CID 18965641) has the molecular formula C24H34Cl2HfSi-2 and a molecular weight of 600.02 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride.

Molecular Properties

Compound Name1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride
PubChem CID18965641
Molecular FormulaC24H34Cl2HfSi-2
Molecular Weight600.02 g/mol
Exact Mass600.13
IUPAC Name1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride
SMILESCC(C)(C)C1=CC=[C-]C1.CC(C)(C)c1c[cH-]c2ccccc12.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/C13H15.C9H13.C2H6Si.2ClH.Hf/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h4-9H,1-3H3;4,6H,7H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyASHBIVBWGSLPCF-UHFFFAOYSA-L
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.02
LogP ≤ 51.37
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 1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride?
The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride (CID 18965641) is 1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride.
What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride?
The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride is CC(C)(C)C1=CC=[C-]C1.CC(C)(C)c1c[cH-]c2ccccc12.C[Si](C)=[Hf+2].[Cl-].[Cl-].
What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride?
The InChIKey is ASHBIVBWGSLPCF-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H15.C9H13.C2H6Si.2ClH.Hf/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h4-9H,1-3H3;4,6H,7H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride?
1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride has a molecular weight of 600.02 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclopenta-1,3-diene;3-tert-butyl-1H-inden-1-ide;dimethylsilylidenehafnium(2+);dichloride is sourced from PubChem (CID 18965641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).