carbon monoxide;iron(4+)

C2FeO2+4 — CID 11963757

About carbon monoxide;iron(4+)

carbon monoxide;iron(4+) (PubChem CID 11963757) has the molecular formula C2FeO2+4 and a molecular weight of 111.86 g/mol. Its IUPAC name is carbon monoxide;iron(4+).

Molecular Properties

• Compound Name: carbon monoxide;iron(4+)
• PubChem CID: 11963757
• Molecular Formula: C2FeO2+4
• Molecular Weight: 111.86 g/mol
• Exact Mass: 111.92
• IUPAC Name: carbon monoxide;iron(4+)
• SMILES: [C-]#[O+].[C-]#[O+].[Fe+4]
• InChI: InChI=1S/2CO.Fe/c2*1-2;/q;;+4
• InChIKey: GNNKYYQVCZXHMY-UHFFFAOYSA-N
• XLogP: -0.08
• TPSA: 39.80 Ų
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	111.86
LogP ≤ 5	-0.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iron(4+)?

The IUPAC name of carbon monoxide;iron(4+) (CID 11963757) is carbon monoxide;iron(4+).

What is the SMILES notation for carbon monoxide;iron(4+)?

The canonical SMILES for carbon monoxide;iron(4+) is [C-]#[O+].[C-]#[O+].[Fe+4].

What is the InChIKey of carbon monoxide;iron(4+)?

The InChIKey is GNNKYYQVCZXHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2CO.Fe/c2*1-2;/q;;+4.

What are the key properties of carbon monoxide;iron(4+)?

carbon monoxide;iron(4+) has a molecular weight of 111.86 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for carbon monoxide;iron(4+) is sourced from PubChem (CID 11963757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).