iron;dodecahydrate

H24Fe2O12 — CID 173337995

IUPACiron;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.[Fe].[Fe]
InChIInChI=1S/2Fe.12H2O/h;;12*1H2
InChIKeyGJUJRBRFYMJJPZ-UHFFFAOYSA-N
MW327.87 g/mol
LogP-9.90
Rot. Bonds

About iron;dodecahydrate

iron;dodecahydrate (PubChem CID 173337995) has the molecular formula H24Fe2O12 and a molecular weight of 327.87 g/mol. Its IUPAC name is iron;dodecahydrate.

Molecular Properties

Compound Nameiron;dodecahydrate
PubChem CID173337995
Molecular FormulaH24Fe2O12
Molecular Weight327.87 g/mol
Exact Mass328.00
IUPAC Nameiron;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.[Fe].[Fe]
InChIInChI=1S/2Fe.12H2O/h;;12*1H2
InChIKeyGJUJRBRFYMJJPZ-UHFFFAOYSA-N
XLogP-9.90
TPSA378.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.87
LogP ≤ 5-9.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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iron;tridecahydrate
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iron;trihydrate
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iron;λ2-plumbane;hydrate
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cobalt;iron;hydrate
CID 156591869
chromium;iron;trihydrate
CID 173372946
CID 170843835
CID 170843835
CID 53244352
CID 53244352
iron;heptahydrate;hydrochloride
CID 173205623

Frequently Asked Questions

What is the IUPAC name of iron;dodecahydrate?
The IUPAC name of iron;dodecahydrate (CID 173337995) is iron;dodecahydrate.
What is the SMILES notation for iron;dodecahydrate?
The canonical SMILES for iron;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.[Fe].[Fe].
What is the InChIKey of iron;dodecahydrate?
The InChIKey is GJUJRBRFYMJJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2Fe.12H2O/h;;12*1H2.
What are the key properties of iron;dodecahydrate?
iron;dodecahydrate has a molecular weight of 327.87 g/mol, XLogP of -9.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;dodecahydrate is sourced from PubChem (CID 173337995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).