dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride

C18H22Cl2HfSi-2 — CID 18965614

IUPACdimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride
SMILESCC1=CC=[C-]C1.C[Si](C)=[Hf+2].Cc1c[cH-]c2ccccc12.[Cl-].[Cl-]
InChIInChI=1S/C10H9.C6H7.C2H6Si.2ClH.Hf/c1-8-6-7-9-4-2-3-5-10(8)9;1-6-4-2-3-5-6;1-3-2;;;/h2-7H,1H3;2,4H,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyNQEXSRUQJSTMOQ-UHFFFAOYSA-L
MW515.86 g/mol
LogP-0.64
Rot. Bonds

About dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride

dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride (PubChem CID 18965614) has the molecular formula C18H22Cl2HfSi-2 and a molecular weight of 515.86 g/mol. Its IUPAC name is dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride.

Molecular Properties

Compound Namedimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride
PubChem CID18965614
Molecular FormulaC18H22Cl2HfSi-2
Molecular Weight515.86 g/mol
Exact Mass516.03
IUPAC Namedimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride
SMILESCC1=CC=[C-]C1.C[Si](C)=[Hf+2].Cc1c[cH-]c2ccccc12.[Cl-].[Cl-]
InChIInChI=1S/C10H9.C6H7.C2H6Si.2ClH.Hf/c1-8-6-7-9-4-2-3-5-10(8)9;1-6-4-2-3-5-6;1-3-2;;;/h2-7H,1H3;2,4H,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyNQEXSRUQJSTMOQ-UHFFFAOYSA-L
XLogP-0.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.86
LogP ≤ 5-0.64
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 dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride?
The IUPAC name of dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride (CID 18965614) is dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride.
What is the SMILES notation for dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride?
The canonical SMILES for dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride is CC1=CC=[C-]C1.C[Si](C)=[Hf+2].Cc1c[cH-]c2ccccc12.[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride?
The InChIKey is NQEXSRUQJSTMOQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.C6H7.C2H6Si.2ClH.Hf/c1-8-6-7-9-4-2-3-5-10(8)9;1-6-4-2-3-5-6;1-3-2;;;/h2-7H,1H3;2,4H,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride?
dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride has a molecular weight of 515.86 g/mol, XLogP of -0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenehafnium(2+);1-methylcyclopenta-1,3-diene;3-methyl-1H-inden-1-ide;dichloride is sourced from PubChem (CID 18965614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).