iron(3+);tris(propan-2-olate)

C9H21FeO3 — CID 11961763

IUPACiron(3+);tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3]
InChIInChI=1S/3C3H7O.Fe/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKeyQUHDSMAREWXWFM-UHFFFAOYSA-N
MW233.11 g/mol
LogP-0.74
Rot. Bonds

About iron(3+);tris(propan-2-olate)

iron(3+);tris(propan-2-olate) (PubChem CID 11961763) has the molecular formula C9H21FeO3 and a molecular weight of 233.11 g/mol. Its IUPAC name is iron(3+);tris(propan-2-olate).

Molecular Properties

Compound Nameiron(3+);tris(propan-2-olate)
PubChem CID11961763
Molecular FormulaC9H21FeO3
Molecular Weight233.11 g/mol
Exact Mass233.08
IUPAC Nameiron(3+);tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3]
InChIInChI=1S/3C3H7O.Fe/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKeyQUHDSMAREWXWFM-UHFFFAOYSA-N
XLogP-0.74
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron(3+);tris(propan-2-olate)?
The IUPAC name of iron(3+);tris(propan-2-olate) (CID 11961763) is iron(3+);tris(propan-2-olate).
What is the SMILES notation for iron(3+);tris(propan-2-olate)?
The canonical SMILES for iron(3+);tris(propan-2-olate) is CC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3].
What is the InChIKey of iron(3+);tris(propan-2-olate)?
The InChIKey is QUHDSMAREWXWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.Fe/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3.
What are the key properties of iron(3+);tris(propan-2-olate)?
iron(3+);tris(propan-2-olate) has a molecular weight of 233.11 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+);tris(propan-2-olate) is sourced from PubChem (CID 11961763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).