iron(2+);manganese(2+);tetraacetate

C8H12FeMnO8 — CID 172682168

IUPACiron(2+);manganese(2+);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Fe+2].[Mn+2]
InChIInChI=1S/4C2H4O2.Fe.Mn/c4*1-2(3)4;;/h4*1H3,(H,3,4);;/q;;;;2*+2/p-4
InChIKeyAOALYXSRFHZJBV-UHFFFAOYSA-J
MW346.96 g/mol
LogP-4.98
Rot. Bonds

About iron(2+);manganese(2+);tetraacetate

iron(2+);manganese(2+);tetraacetate (PubChem CID 172682168) has the molecular formula C8H12FeMnO8 and a molecular weight of 346.96 g/mol. Its IUPAC name is iron(2+);manganese(2+);tetraacetate.

Molecular Properties

Compound Nameiron(2+);manganese(2+);tetraacetate
PubChem CID172682168
Molecular FormulaC8H12FeMnO8
Molecular Weight346.96 g/mol
Exact Mass346.93
IUPAC Nameiron(2+);manganese(2+);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Fe+2].[Mn+2]
InChIInChI=1S/4C2H4O2.Fe.Mn/c4*1-2(3)4;;/h4*1H3,(H,3,4);;/q;;;;2*+2/p-4
InChIKeyAOALYXSRFHZJBV-UHFFFAOYSA-J
XLogP-4.98
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.96
LogP ≤ 5-4.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

iron(2+);diacetate;heptahydrate
CID 173209391
bis(manganese(2+));acetate;carbonate
CID 158739591
cerium(3+);manganese(2+);pentaacetate
CID 159814698
manganese(2+);acetate;hydroxide
CID 56943305
manganese(2+);oxostibanylium;triacetate
CID 162098118
lithium;manganese(2+);diacetate;hydroxide
CID 173362486
CID 170997571
CID 170997571
tris(barium(2+)) diacetate
CID 19804496
nonasodium;nonaacetate
CID 173443222
zirconium acetate
CID 18596
uranium hexaacetate
CID 20541057
manganese(3+) diacetate
CID 159209977

Frequently Asked Questions

What is the IUPAC name of iron(2+);manganese(2+);tetraacetate?
The IUPAC name of iron(2+);manganese(2+);tetraacetate (CID 172682168) is iron(2+);manganese(2+);tetraacetate.
What is the SMILES notation for iron(2+);manganese(2+);tetraacetate?
The canonical SMILES for iron(2+);manganese(2+);tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Fe+2].[Mn+2].
What is the InChIKey of iron(2+);manganese(2+);tetraacetate?
The InChIKey is AOALYXSRFHZJBV-UHFFFAOYSA-J. The full InChI is InChI=1S/4C2H4O2.Fe.Mn/c4*1-2(3)4;;/h4*1H3,(H,3,4);;/q;;;;2*+2/p-4.
What are the key properties of iron(2+);manganese(2+);tetraacetate?
iron(2+);manganese(2+);tetraacetate has a molecular weight of 346.96 g/mol, XLogP of -4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);manganese(2+);tetraacetate is sourced from PubChem (CID 172682168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).