alumane;oxoiron;hydrate

H5AlFeO2 — CID 174909853

IUPACalumane;oxoiron;hydrate
SMILESO.O=[Fe].[AlH3]
InChIInChI=1S/Al.Fe.H2O.O.3H/h;;1H2;;;;
InChIKeyUKSAYMCZTRONPU-UHFFFAOYSA-N
MW119.86 g/mol
LogP-2.13
Rot. Bonds

About alumane;oxoiron;hydrate

alumane;oxoiron;hydrate (PubChem CID 174909853) has the molecular formula H5AlFeO2 and a molecular weight of 119.86 g/mol. Its IUPAC name is alumane;oxoiron;hydrate.

Molecular Properties

Compound Namealumane;oxoiron;hydrate
PubChem CID174909853
Molecular FormulaH5AlFeO2
Molecular Weight119.86 g/mol
Exact Mass119.95
IUPAC Namealumane;oxoiron;hydrate
SMILESO.O=[Fe].[AlH3]
InChIInChI=1S/Al.Fe.H2O.O.3H/h;;1H2;;;;
InChIKeyUKSAYMCZTRONPU-UHFFFAOYSA-N
XLogP-2.13
TPSA48.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.86
LogP ≤ 5-2.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oxoiron;titanium
CID 57449484
CID 57468499
CID 57468499
cerium;oxoiron
CID 174861905
manganese;oxoiron
CID 57421886
CID 57469333
CID 57469333
oxoiron;hydroiodide
CID 174691296
alumane;tetratriacontahydrate
CID 173238548
alumane;hydrate
CID 173359085
alumane;trihydrate
CID 173054078
titanium;dodecahydrate
CID 173231372
titanium;octadecahydrate
CID 173222579
alumane;barium(2+);hydride;titanium;tetrahydrate
CID 173431257

Frequently Asked Questions

What is the IUPAC name of alumane;oxoiron;hydrate?
The IUPAC name of alumane;oxoiron;hydrate (CID 174909853) is alumane;oxoiron;hydrate.
What is the SMILES notation for alumane;oxoiron;hydrate?
The canonical SMILES for alumane;oxoiron;hydrate is O.O=[Fe].[AlH3].
What is the InChIKey of alumane;oxoiron;hydrate?
The InChIKey is UKSAYMCZTRONPU-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Fe.H2O.O.3H/h;;1H2;;;;.
What are the key properties of alumane;oxoiron;hydrate?
alumane;oxoiron;hydrate has a molecular weight of 119.86 g/mol, XLogP of -2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;oxoiron;hydrate is sourced from PubChem (CID 174909853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).