potassium;iron(3+);oxalate;trihydrate

C4H6FeKO11 — CID 102601672

IUPACpotassium;iron(3+);oxalate;trihydrate
SMILESO.O.O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Fe+3].[K+]
InChIInChI=1S/2C2H2O4.Fe.K.3H2O/c2*3-1(4)2(5)6;;;;;/h2*(H,3,4)(H,5,6);;;3*1H2/q;;+3;+1;;;/p-4
InChIKeyQJGNTHBXSRJPFL-UHFFFAOYSA-J
MW325.02 g/mol
LogP-12.50
Rot. Bonds

About potassium;iron(3+);oxalate;trihydrate

potassium;iron(3+);oxalate;trihydrate (PubChem CID 102601672) has the molecular formula C4H6FeKO11 and a molecular weight of 325.02 g/mol. Its IUPAC name is potassium;iron(3+);oxalate;trihydrate.

Molecular Properties

Compound Namepotassium;iron(3+);oxalate;trihydrate
PubChem CID102601672
Molecular FormulaC4H6FeKO11
Molecular Weight325.02 g/mol
Exact Mass324.89
IUPAC Namepotassium;iron(3+);oxalate;trihydrate
SMILESO.O.O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Fe+3].[K+]
InChIInChI=1S/2C2H2O4.Fe.K.3H2O/c2*3-1(4)2(5)6;;;;;/h2*(H,3,4)(H,5,6);;;3*1H2/q;;+3;+1;;;/p-4
InChIKeyQJGNTHBXSRJPFL-UHFFFAOYSA-J
XLogP-12.50
TPSA255.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.02
LogP ≤ 5-12.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

iron(3+);oxalate;hydrate
CID 172796672
iron(3+);oxalate
CID 165359506
magnesium;oxalate;tetrahydrate
CID 171477139
zinc;oxalate;dihydrate
CID 516787
oxalate;bis(yttrium(3+));hydrate
CID 516803
zinc;oxalate;hexahydrate
CID 175037581
lanthanum;oxalate;nonahydrate
CID 172983604
bis(cerium(3+));oxalate;decahydrate
CID 71586987
oxalate;bis(terbium(3+));hydrate
CID 57351143
octacesium;oxalate;dihydrate
CID 164888483
dipotassium;oxalate;platinum(2+);dihydrate
CID 56841024
dibismuth;oxalate;heptahydrate
CID 172687404

Frequently Asked Questions

What is the IUPAC name of potassium;iron(3+);oxalate;trihydrate?
The IUPAC name of potassium;iron(3+);oxalate;trihydrate (CID 102601672) is potassium;iron(3+);oxalate;trihydrate.
What is the SMILES notation for potassium;iron(3+);oxalate;trihydrate?
The canonical SMILES for potassium;iron(3+);oxalate;trihydrate is O.O.O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Fe+3].[K+].
What is the InChIKey of potassium;iron(3+);oxalate;trihydrate?
The InChIKey is QJGNTHBXSRJPFL-UHFFFAOYSA-J. The full InChI is InChI=1S/2C2H2O4.Fe.K.3H2O/c2*3-1(4)2(5)6;;;;;/h2*(H,3,4)(H,5,6);;;3*1H2/q;;+3;+1;;;/p-4.
What are the key properties of potassium;iron(3+);oxalate;trihydrate?
potassium;iron(3+);oxalate;trihydrate has a molecular weight of 325.02 g/mol, XLogP of -12.50, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;iron(3+);oxalate;trihydrate is sourced from PubChem (CID 102601672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).