iron(2+);diacetate;heptahydrate

C4H20FeO11 — CID 173209391

IUPACiron(2+);diacetate;heptahydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.O.O.O.O.O.O.[Fe+2]
InChIInChI=1S/2C2H4O2.Fe.7H2O/c2*1-2(3)4;;;;;;;;/h2*1H3,(H,3,4);;7*1H2/q;;+2;;;;;;;/p-2
InChIKeyMTYCQKVSAHAUBC-UHFFFAOYSA-L
MW300.04 g/mol
LogP-8.26
Rot. Bonds

About iron(2+);diacetate;heptahydrate

iron(2+);diacetate;heptahydrate (PubChem CID 173209391) has the molecular formula C4H20FeO11 and a molecular weight of 300.04 g/mol. Its IUPAC name is iron(2+);diacetate;heptahydrate.

Molecular Properties

Compound Nameiron(2+);diacetate;heptahydrate
PubChem CID173209391
Molecular FormulaC4H20FeO11
Molecular Weight300.04 g/mol
Exact Mass300.04
IUPAC Nameiron(2+);diacetate;heptahydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.O.O.O.O.O.O.[Fe+2]
InChIInChI=1S/2C2H4O2.Fe.7H2O/c2*1-2(3)4;;;;;;;;/h2*1H3,(H,3,4);;7*1H2/q;;+2;;;;;;;/p-2
InChIKeyMTYCQKVSAHAUBC-UHFFFAOYSA-L
XLogP-8.26
TPSA300.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.04
LogP ≤ 5-8.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cerium(3+);acetate;hexahydrate
CID 23158452
yttrium(3+);triacetate;hydrate
CID 57376990
vanadium;triacetate;hydrate
CID 102418603
praseodymium(3+);triacetate;trihydrate
CID 172733090
CID 170997536
CID 170997536
sodium;acetate;trihydrate
CID 23665404
zinc;diacetate;heptahydrate
CID 161319738
tin(2+);diacetate;dihydrate
CID 174049693
strontium;acetate;hexahydrate
CID 19795582
cobalt(2+);acetate;hexahydrate
CID 21479533
uranium;hexaacetate;hydrate
CID 174392556
cesium;acetate;dihydrate
CID 175372370

Frequently Asked Questions

What is the IUPAC name of iron(2+);diacetate;heptahydrate?
The IUPAC name of iron(2+);diacetate;heptahydrate (CID 173209391) is iron(2+);diacetate;heptahydrate.
What is the SMILES notation for iron(2+);diacetate;heptahydrate?
The canonical SMILES for iron(2+);diacetate;heptahydrate is CC(=O)[O-].CC(=O)[O-].O.O.O.O.O.O.O.[Fe+2].
What is the InChIKey of iron(2+);diacetate;heptahydrate?
The InChIKey is MTYCQKVSAHAUBC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O2.Fe.7H2O/c2*1-2(3)4;;;;;;;;/h2*1H3,(H,3,4);;7*1H2/q;;+2;;;;;;;/p-2.
What are the key properties of iron(2+);diacetate;heptahydrate?
iron(2+);diacetate;heptahydrate has a molecular weight of 300.04 g/mol, XLogP of -8.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);diacetate;heptahydrate is sourced from PubChem (CID 173209391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).