carbanide;carbon monoxide;iron

C8H6Fe2O6-2 — CID 164669797

IUPACcarbanide;carbon monoxide;iron
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH3-].[CH3-].[Fe].[Fe]
InChIInChI=1S/6CO.2CH3.2Fe/c6*1-2;;;;/h;;;;;;2*1H3;;/q;;;;;;2*-1;;
InChIKeyQAQWTACWBYFLIG-UHFFFAOYSA-N
MW309.82 g/mol
LogP0.67
Rot. Bonds

About carbanide;carbon monoxide;iron

carbanide;carbon monoxide;iron (PubChem CID 164669797) has the molecular formula C8H6Fe2O6-2 and a molecular weight of 309.82 g/mol. Its IUPAC name is carbanide;carbon monoxide;iron.

Molecular Properties

Compound Namecarbanide;carbon monoxide;iron
PubChem CID164669797
Molecular FormulaC8H6Fe2O6-2
Molecular Weight309.82 g/mol
Exact Mass309.89
IUPAC Namecarbanide;carbon monoxide;iron
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH3-].[CH3-].[Fe].[Fe]
InChIInChI=1S/6CO.2CH3.2Fe/c6*1-2;;;;/h;;;;;;2*1H3;;/q;;;;;;2*-1;;
InChIKeyQAQWTACWBYFLIG-UHFFFAOYSA-N
XLogP0.67
TPSA119.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;carbon monoxide;iron?
The IUPAC name of carbanide;carbon monoxide;iron (CID 164669797) is carbanide;carbon monoxide;iron.
What is the SMILES notation for carbanide;carbon monoxide;iron?
The canonical SMILES for carbanide;carbon monoxide;iron is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH3-].[CH3-].[Fe].[Fe].
What is the InChIKey of carbanide;carbon monoxide;iron?
The InChIKey is QAQWTACWBYFLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/6CO.2CH3.2Fe/c6*1-2;;;;/h;;;;;;2*1H3;;/q;;;;;;2*-1;;.
What are the key properties of carbanide;carbon monoxide;iron?
carbanide;carbon monoxide;iron has a molecular weight of 309.82 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;carbon monoxide;iron is sourced from PubChem (CID 164669797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).