tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)

C20H20Zr2 — CID 161107864

IUPACtetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)
SMILES[Zr+4].[Zr].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/4C5H5.2Zr/c4*1-2-4-5-3-1;;/h4*1-5H;;/q4*-1;;+4
InChIKeyUJHIIPOLCLGHNY-UHFFFAOYSA-N
MW442.83 g/mol
LogP5.62
Rot. Bonds

About tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)

tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+) (PubChem CID 161107864) has the molecular formula C20H20Zr2 and a molecular weight of 442.83 g/mol. Its IUPAC name is tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+).

Molecular Properties

Compound Nametetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)
PubChem CID161107864
Molecular FormulaC20H20Zr2
Molecular Weight442.83 g/mol
Exact Mass439.97
IUPAC Nametetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)
SMILES[Zr+4].[Zr].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/4C5H5.2Zr/c4*1-2-4-5-3-1;;/h4*1-5H;;/q4*-1;;+4
InChIKeyUJHIIPOLCLGHNY-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.83
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)?
The IUPAC name of tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+) (CID 161107864) is tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+).
What is the SMILES notation for tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)?
The canonical SMILES for tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+) is [Zr+4].[Zr].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)?
The InChIKey is UJHIIPOLCLGHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H5.2Zr/c4*1-2-4-5-3-1;;/h4*1-5H;;/q4*-1;;+4.
What are the key properties of tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)?
tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+) has a molecular weight of 442.83 g/mol, XLogP of 5.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+) is sourced from PubChem (CID 161107864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).