bis(cyclopenta-1,3-diene);zirconium;zirconium(2+)

C10H10Zr2 — CID 159549094

IUPACbis(cyclopenta-1,3-diene);zirconium;zirconium(2+)
SMILES[Zr+2].[Zr].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2Zr/c2*1-2-4-5-3-1;;/h2*1-5H;;/q2*-1;;+2
InChIKeyMFDYJHSMBJVOPR-UHFFFAOYSA-N
MW312.64 g/mol
LogP2.81
Rot. Bonds

About bis(cyclopenta-1,3-diene);zirconium;zirconium(2+)

bis(cyclopenta-1,3-diene);zirconium;zirconium(2+) (PubChem CID 159549094) has the molecular formula C10H10Zr2 and a molecular weight of 312.64 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);zirconium;zirconium(2+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);zirconium;zirconium(2+)
PubChem CID159549094
Molecular FormulaC10H10Zr2
Molecular Weight312.64 g/mol
Exact Mass309.89
IUPAC Namebis(cyclopenta-1,3-diene);zirconium;zirconium(2+)
SMILES[Zr+2].[Zr].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2Zr/c2*1-2-4-5-3-1;;/h2*1-5H;;/q2*-1;;+2
InChIKeyMFDYJHSMBJVOPR-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.64
LogP ≤ 52.81
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 bis(cyclopenta-1,3-diene);zirconium;zirconium(2+)?
The IUPAC name of bis(cyclopenta-1,3-diene);zirconium;zirconium(2+) (CID 159549094) is bis(cyclopenta-1,3-diene);zirconium;zirconium(2+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);zirconium;zirconium(2+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);zirconium;zirconium(2+) is [Zr+2].[Zr].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);zirconium;zirconium(2+)?
The InChIKey is MFDYJHSMBJVOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2Zr/c2*1-2-4-5-3-1;;/h2*1-5H;;/q2*-1;;+2.
What are the key properties of bis(cyclopenta-1,3-diene);zirconium;zirconium(2+)?
bis(cyclopenta-1,3-diene);zirconium;zirconium(2+) has a molecular weight of 312.64 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);zirconium;zirconium(2+) is sourced from PubChem (CID 159549094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).