bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride

C32H48Cl2Si2Zr2-2 — CID 23296871

IUPACbis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride
SMILESCCC1=CC[C-]=C1.CCC1=CC[C-]=C1.CCC1=CC[C-]=C1.CCC1=CC[C-]=C1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/4C7H9.2C2H6Si.2ClH.2Zr/c4*1-2-7-5-3-4-6-7;2*1-3-2;;;;/h4*5-6H,2-3H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyDMNROANSRWBBCN-UHFFFAOYSA-L
MW742.26 g/mol
LogP3.92
Rot. Bonds4

About bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride

bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride (PubChem CID 23296871) has the molecular formula C32H48Cl2Si2Zr2-2 and a molecular weight of 742.26 g/mol. Its IUPAC name is bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namebis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride
PubChem CID23296871
Molecular FormulaC32H48Cl2Si2Zr2-2
Molecular Weight742.26 g/mol
Exact Mass738.08
IUPAC Namebis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride
SMILESCCC1=CC[C-]=C1.CCC1=CC[C-]=C1.CCC1=CC[C-]=C1.CCC1=CC[C-]=C1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/4C7H9.2C2H6Si.2ClH.2Zr/c4*1-2-7-5-3-4-6-7;2*1-3-2;;;;/h4*5-6H,2-3H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyDMNROANSRWBBCN-UHFFFAOYSA-L
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500742.26
LogP ≤ 53.92
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

1,3-Dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
CID 18628490
1,2-Dimethylcyclopenta-1,3-diene;1,3-dimethylcyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);dichloride
CID 19790030
Dimethylsilylidenezirconium(2+);trimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane;trimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane;dichloride
CID 22622850
Dichloro(dimethylsilylidene)zirconium;1,3-dimethylcyclopenta-1,3-diene;2,5-dimethylcyclopenta-1,3-diene
CID 22926364
Bis(2,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+);dichloride
CID 87133423
Bis(trimethyl-(5-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(2+);dihydrochloride
CID 87136874
Bis(cyclopenta-1,4-dien-1-ylmethyl(trimethyl)silane);zirconium(2+);dihydrochloride
CID 87359755
Bis(1,3-dimethylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+);dichloride
CID 87434244
Bis(2-butylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+);dichloride
CID 87517272
Dimethylsilylidenezirconium(2+);1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;dichloride
CID 87566519
Bis(trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane);zirconium(4+);dichloride
CID 87591081
Dimethylsilylidenezirconium(2+);bis(5-ethyl-2,3-dimethylcyclopenta-1,3-diene);dichloride
CID 87675416

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride?
The IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride (CID 23296871) is bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride.
What is the SMILES notation for bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride?
The canonical SMILES for bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride is CCC1=CC[C-]=C1.CCC1=CC[C-]=C1.CCC1=CC[C-]=C1.CCC1=CC[C-]=C1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride?
The InChIKey is DMNROANSRWBBCN-UHFFFAOYSA-L. The full InChI is InChI=1S/4C7H9.2C2H6Si.2ClH.2Zr/c4*1-2-7-5-3-4-6-7;2*1-3-2;;;;/h4*5-6H,2-3H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride?
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride has a molecular weight of 742.26 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 23296871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).