dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride

C22H36Cl2HfSi-2 — CID 158824168

IUPACdimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride
SMILESCCCC1=CC(CC)=[C-]C1.CCCC1=CC(CC)=[C-]C1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/2C10H15.C2H6Si.2ClH.Hf/c2*1-3-5-10-7-6-9(4-2)8-10;1-3-2;;;/h2*8H,3-5,7H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHLNOGUINVALILP-UHFFFAOYSA-L
MW578.01 g/mol
LogP1.30
Rot. Bonds6

About dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride

dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride (PubChem CID 158824168) has the molecular formula C22H36Cl2HfSi-2 and a molecular weight of 578.01 g/mol. Its IUPAC name is dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namedimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride
PubChem CID158824168
Molecular FormulaC22H36Cl2HfSi-2
Molecular Weight578.01 g/mol
Exact Mass578.14
IUPAC Namedimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride
SMILESCCCC1=CC(CC)=[C-]C1.CCCC1=CC(CC)=[C-]C1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/2C10H15.C2H6Si.2ClH.Hf/c2*1-3-5-10-7-6-9(4-2)8-10;1-3-2;;;/h2*8H,3-5,7H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHLNOGUINVALILP-UHFFFAOYSA-L
XLogP1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.01
LogP ≤ 51.30
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+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride?
The IUPAC name of dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride (CID 158824168) is dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride.
What is the SMILES notation for dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride?
The canonical SMILES for dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride is CCCC1=CC(CC)=[C-]C1.CCCC1=CC(CC)=[C-]C1.C[Si](C)=[Hf+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride?
The InChIKey is HLNOGUINVALILP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H15.C2H6Si.2ClH.Hf/c2*1-3-5-10-7-6-9(4-2)8-10;1-3-2;;;/h2*8H,3-5,7H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride?
dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride has a molecular weight of 578.01 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenehafnium(2+);bis(3-ethyl-1-propylcyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 158824168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).