aluminum;iron(3+);hexahypochlorite

AlCl6FeO6 — CID 173352027

IUPACaluminum;iron(3+);hexahypochlorite
SMILES[Al+3].[Fe+3].[O-]Cl.[O-]Cl.[O-]Cl.[O-]Cl.[O-]Cl.[O-]Cl
InChIInChI=1S/Al.6ClO.Fe/c;6*1-2;/q+3;6*-1;+3
InChIKeyPEFATAIAMAOXQA-UHFFFAOYSA-N
MW391.54 g/mol
LogP-3.38
Rot. Bonds

About aluminum;iron(3+);hexahypochlorite

aluminum;iron(3+);hexahypochlorite (PubChem CID 173352027) has the molecular formula AlCl6FeO6 and a molecular weight of 391.54 g/mol. Its IUPAC name is aluminum;iron(3+);hexahypochlorite.

Molecular Properties

Compound Namealuminum;iron(3+);hexahypochlorite
PubChem CID173352027
Molecular FormulaAlCl6FeO6
Molecular Weight391.54 g/mol
Exact Mass388.70
IUPAC Namealuminum;iron(3+);hexahypochlorite
SMILES[Al+3].[Fe+3].[O-]Cl.[O-]Cl.[O-]Cl.[O-]Cl.[O-]Cl.[O-]Cl
InChIInChI=1S/Al.6ClO.Fe/c;6*1-2;/q+3;6*-1;+3
InChIKeyPEFATAIAMAOXQA-UHFFFAOYSA-N
XLogP-3.38
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 5-3.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aluminum;iron(3+);hexahypochlorite?
The IUPAC name of aluminum;iron(3+);hexahypochlorite (CID 173352027) is aluminum;iron(3+);hexahypochlorite.
What is the SMILES notation for aluminum;iron(3+);hexahypochlorite?
The canonical SMILES for aluminum;iron(3+);hexahypochlorite is [Al+3].[Fe+3].[O-]Cl.[O-]Cl.[O-]Cl.[O-]Cl.[O-]Cl.[O-]Cl.
What is the InChIKey of aluminum;iron(3+);hexahypochlorite?
The InChIKey is PEFATAIAMAOXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.6ClO.Fe/c;6*1-2;/q+3;6*-1;+3.
What are the key properties of aluminum;iron(3+);hexahypochlorite?
aluminum;iron(3+);hexahypochlorite has a molecular weight of 391.54 g/mol, XLogP of -3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;iron(3+);hexahypochlorite is sourced from PubChem (CID 173352027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).