ethanolate;iron(3+)

C6H15FeO3 — CID 6452222

IUPACethanolate;iron(3+)
SMILESCC[O-].CC[O-].CC[O-].[Fe+3]
InChIInChI=1S/3C2H5O.Fe/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
InChIKeyJTPUGUWXHGEEHW-UHFFFAOYSA-N
MW191.03 g/mol
LogP-1.90
Rot. Bonds

About ethanolate;iron(3+)

ethanolate;iron(3+) (PubChem CID 6452222) has the molecular formula C6H15FeO3 and a molecular weight of 191.03 g/mol. Its IUPAC name is ethanolate;iron(3+).

Molecular Properties

Compound Nameethanolate;iron(3+)
PubChem CID6452222
Molecular FormulaC6H15FeO3
Molecular Weight191.03 g/mol
Exact Mass191.04
IUPAC Nameethanolate;iron(3+)
SMILESCC[O-].CC[O-].CC[O-].[Fe+3]
InChIInChI=1S/3C2H5O.Fe/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
InChIKeyJTPUGUWXHGEEHW-UHFFFAOYSA-N
XLogP-1.90
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 5-1.90
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 ethanolate;iron(3+)?
The IUPAC name of ethanolate;iron(3+) (CID 6452222) is ethanolate;iron(3+).
What is the SMILES notation for ethanolate;iron(3+)?
The canonical SMILES for ethanolate;iron(3+) is CC[O-].CC[O-].CC[O-].[Fe+3].
What is the InChIKey of ethanolate;iron(3+)?
The InChIKey is JTPUGUWXHGEEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5O.Fe/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3.
What are the key properties of ethanolate;iron(3+)?
ethanolate;iron(3+) has a molecular weight of 191.03 g/mol, XLogP of -1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;iron(3+) is sourced from PubChem (CID 6452222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).