zinc;hexakis(butan-1-olate);zirconium(4+)

C24H54O6ZnZr — CID 22763682

IUPACzinc;hexakis(butan-1-olate);zirconium(4+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Zn+2].[Zr+4]
InChIInChI=1S/6C4H9O.Zn.Zr/c6*1-2-3-4-5;;/h6*2-4H2,1H3;;/q6*-1;+2;+4
InChIKeyCPRNXYUBUMWONV-UHFFFAOYSA-N
MW595.30 g/mol
LogP0.88
Rot. Bonds12

About zinc;hexakis(butan-1-olate);zirconium(4+)

zinc;hexakis(butan-1-olate);zirconium(4+) (PubChem CID 22763682) has the molecular formula C24H54O6ZnZr and a molecular weight of 595.30 g/mol. Its IUPAC name is zinc;hexakis(butan-1-olate);zirconium(4+).

Molecular Properties

Compound Namezinc;hexakis(butan-1-olate);zirconium(4+)
PubChem CID22763682
Molecular FormulaC24H54O6ZnZr
Molecular Weight595.30 g/mol
Exact Mass592.23
IUPAC Namezinc;hexakis(butan-1-olate);zirconium(4+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Zn+2].[Zr+4]
InChIInChI=1S/6C4H9O.Zn.Zr/c6*1-2-3-4-5;;/h6*2-4H2,1H3;;/q6*-1;+2;+4
InChIKeyCPRNXYUBUMWONV-UHFFFAOYSA-N
XLogP0.88
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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trilithium;tris(butan-1-olate)
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CID 11536856
butan-1-olate;rubidium(1+)
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strontium;hexakis(butan-1-olate);titanium(4+)
CID 161415283
decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))
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Frequently Asked Questions

What is the IUPAC name of zinc;hexakis(butan-1-olate);zirconium(4+)?
The IUPAC name of zinc;hexakis(butan-1-olate);zirconium(4+) (CID 22763682) is zinc;hexakis(butan-1-olate);zirconium(4+).
What is the SMILES notation for zinc;hexakis(butan-1-olate);zirconium(4+)?
The canonical SMILES for zinc;hexakis(butan-1-olate);zirconium(4+) is CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Zn+2].[Zr+4].
What is the InChIKey of zinc;hexakis(butan-1-olate);zirconium(4+)?
The InChIKey is CPRNXYUBUMWONV-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H9O.Zn.Zr/c6*1-2-3-4-5;;/h6*2-4H2,1H3;;/q6*-1;+2;+4.
What are the key properties of zinc;hexakis(butan-1-olate);zirconium(4+)?
zinc;hexakis(butan-1-olate);zirconium(4+) has a molecular weight of 595.30 g/mol, XLogP of 0.88, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;hexakis(butan-1-olate);zirconium(4+) is sourced from PubChem (CID 22763682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).