dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride

C18H28Cl2SiZr-2 — CID 18468835

IUPACdimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride
SMILESCC1=[C-]C(C)C=C1C.CC1=[C-]C(C)C=C1C.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C8H11.C2H6Si.2ClH.Zr/c2*1-6-4-7(2)8(3)5-6;1-3-2;;;/h2*4,6H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFFQALUWJZGDSPY-UHFFFAOYSA-L
MW434.64 g/mol
LogP-0.54
Rot. Bonds

About dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride

dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride (PubChem CID 18468835) has the molecular formula C18H28Cl2SiZr-2 and a molecular weight of 434.64 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride
PubChem CID18468835
Molecular FormulaC18H28Cl2SiZr-2
Molecular Weight434.64 g/mol
Exact Mass432.04
IUPAC Namedimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride
SMILESCC1=[C-]C(C)C=C1C.CC1=[C-]C(C)C=C1C.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C8H11.C2H6Si.2ClH.Zr/c2*1-6-4-7(2)8(3)5-6;1-3-2;;;/h2*4,6H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFFQALUWJZGDSPY-UHFFFAOYSA-L
XLogP-0.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.64
LogP ≤ 5-0.54
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 dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride (CID 18468835) is dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride is CC1=[C-]C(C)C=C1C.CC1=[C-]C(C)C=C1C.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride?
The InChIKey is FFQALUWJZGDSPY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11.C2H6Si.2ClH.Zr/c2*1-6-4-7(2)8(3)5-6;1-3-2;;;/h2*4,6H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride?
dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride has a molecular weight of 434.64 g/mol, XLogP of -0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(2,3,5-trimethylcyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 18468835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).