tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride

C32H50Cl2Hf2Si2 — CID 173280689

IUPACtetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
SMILESCC1=[C-]CC=C1C.CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl
InChIInChI=1S/4C7H9.2C2H6Si.2ClH.2Hf/c4*1-6-4-3-5-7(6)2;2*1-3-2;;;;/h4*4H,3H2,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2
InChIKeyONNGDEJPCPACFU-UHFFFAOYSA-N
MW918.81 g/mol
LogP10.76
Rot. Bonds

About tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride

tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride (PubChem CID 173280689) has the molecular formula C32H50Cl2Hf2Si2 and a molecular weight of 918.81 g/mol. Its IUPAC name is tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride.

Molecular Properties

Compound Nametetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
PubChem CID173280689
Molecular FormulaC32H50Cl2Hf2Si2
Molecular Weight918.81 g/mol
Exact Mass920.18
IUPAC Nametetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
SMILESCC1=[C-]CC=C1C.CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl
InChIInChI=1S/4C7H9.2C2H6Si.2ClH.2Hf/c4*1-6-4-3-5-7(6)2;2*1-3-2;;;;/h4*4H,3H2,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2
InChIKeyONNGDEJPCPACFU-UHFFFAOYSA-N
XLogP10.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.81
LogP ≤ 510.76
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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Related Compounds

bis(2,3-dimethylcyclopenta-1,3-diene);titanium(2+)
CID 175385628
carbanide;2,3-dimethylcyclopenta-1,3-diene;zirconium(4+)
CID 22676373
bis(2,3-dimethylcyclopenta-1,3-diene);hydride;titanium(2+)
CID 173149529
bis(2,3-dimethylcyclopenta-1,3-diene);ethane;silylidenezirconium;dihydrochloride
CID 173008605
carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride
CID 173161612
carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silylidenetitanium;dihydrobromide
CID 173280774
bis(2,3-dimethylcyclopenta-1,3-diene);ethanol;zirconium(4+);dichloride
CID 175144205
magnesium;cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,3-diene
CID 174383038
carbanide;cyclohexane;bis(2,3-dimethylcyclopenta-1,3-diene);zirconium(2+);dichloride
CID 87108285
bis(2,3-dimethylcyclopenta-1,3-diene);methanidylbenzene;zirconium(4+);chloride
CID 87759015
bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride
CID 173079005
bis(dimethylsilylidenehafnium(2+));tetrakis(2-methylcyclopenta-1,3-diene);dihydrochloride
CID 173280773

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
The IUPAC name of tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride (CID 173280689) is tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride.
What is the SMILES notation for tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
The canonical SMILES for tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride is CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.CC1=[C-]CC=C1C.C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl.
What is the InChIKey of tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
The InChIKey is ONNGDEJPCPACFU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H9.2C2H6Si.2ClH.2Hf/c4*1-6-4-3-5-7(6)2;2*1-3-2;;;;/h4*4H,3H2,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2.
What are the key properties of tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride?
tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride has a molecular weight of 918.81 g/mol, XLogP of 10.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,3-dimethylcyclopenta-1,3-diene);bis(dimethylsilylidenehafnium(2+));dihydrochloride is sourced from PubChem (CID 173280689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).