magnesium;iron(2+);tetrakis(propan-1-olate)

C12H28FeMgO4 — CID 159973455

IUPACmagnesium;iron(2+);tetrakis(propan-1-olate)
SMILESCCC[O-].CCC[O-].CCC[O-].CCC[O-].[Fe+2].[Mg+2]
InChIInChI=1S/4C3H7O.Fe.Mg/c4*1-2-3-4;;/h4*2-3H2,1H3;;/q4*-1;2*+2
InChIKeyGTIREJRGGYRJRT-UHFFFAOYSA-N
MW316.50 g/mol
LogP-1.36
Rot. Bonds4

About magnesium;iron(2+);tetrakis(propan-1-olate)

magnesium;iron(2+);tetrakis(propan-1-olate) (PubChem CID 159973455) has the molecular formula C12H28FeMgO4 and a molecular weight of 316.50 g/mol. Its IUPAC name is magnesium;iron(2+);tetrakis(propan-1-olate).

Molecular Properties

Compound Namemagnesium;iron(2+);tetrakis(propan-1-olate)
PubChem CID159973455
Molecular FormulaC12H28FeMgO4
Molecular Weight316.50 g/mol
Exact Mass316.12
IUPAC Namemagnesium;iron(2+);tetrakis(propan-1-olate)
SMILESCCC[O-].CCC[O-].CCC[O-].CCC[O-].[Fe+2].[Mg+2]
InChIInChI=1S/4C3H7O.Fe.Mg/c4*1-2-3-4;;/h4*2-3H2,1H3;;/q4*-1;2*+2
InChIKeyGTIREJRGGYRJRT-UHFFFAOYSA-N
XLogP-1.36
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 5-1.36
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

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CID 57375981
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bismuth;propan-1-olate;dihydroxide
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chlorotitanium(3+);tris(propan-1-olate)
CID 13026523
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Frequently Asked Questions

What is the IUPAC name of magnesium;iron(2+);tetrakis(propan-1-olate)?
The IUPAC name of magnesium;iron(2+);tetrakis(propan-1-olate) (CID 159973455) is magnesium;iron(2+);tetrakis(propan-1-olate).
What is the SMILES notation for magnesium;iron(2+);tetrakis(propan-1-olate)?
The canonical SMILES for magnesium;iron(2+);tetrakis(propan-1-olate) is CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Fe+2].[Mg+2].
What is the InChIKey of magnesium;iron(2+);tetrakis(propan-1-olate)?
The InChIKey is GTIREJRGGYRJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H7O.Fe.Mg/c4*1-2-3-4;;/h4*2-3H2,1H3;;/q4*-1;2*+2.
What are the key properties of magnesium;iron(2+);tetrakis(propan-1-olate)?
magnesium;iron(2+);tetrakis(propan-1-olate) has a molecular weight of 316.50 g/mol, XLogP of -1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;iron(2+);tetrakis(propan-1-olate) is sourced from PubChem (CID 159973455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).