About iron;iron(5+);methanone
iron;iron(5+);methanone (PubChem CID 174711267) has the molecular formula C5H5Fe2O5
and a molecular weight of 256.78 g/mol. Its IUPAC name is iron;iron(5+);methanone.
Molecular Properties
| Compound Name | iron;iron(5+);methanone |
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| PubChem CID | 174711267 |
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| Molecular Formula | C5H5Fe2O5 |
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| Molecular Weight | 256.78 g/mol |
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| Exact Mass | 256.88 |
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| IUPAC Name | iron;iron(5+);methanone |
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| SMILES | [CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Fe+5].[Fe] |
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| InChI | InChI=1S/5CHO.2Fe/c5*1-2;;/h5*1H;;/q5*-1;;+5 |
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| InChIKey | STSHWTJXKHNTFA-UHFFFAOYSA-N |
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| XLogP | -1.38 |
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| TPSA | 85.35 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 256.78 |
| LogP ≤ 5 | -1.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of iron;iron(5+);methanone?
The IUPAC name of iron;iron(5+);methanone (CID 174711267) is iron;iron(5+);methanone.
What is the SMILES notation for iron;iron(5+);methanone?
The canonical SMILES for iron;iron(5+);methanone is [CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[Fe+5].[Fe].
What is the InChIKey of iron;iron(5+);methanone?
The InChIKey is STSHWTJXKHNTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/5CHO.2Fe/c5*1-2;;/h5*1H;;/q5*-1;;+5.
What are the key properties of iron;iron(5+);methanone?
iron;iron(5+);methanone has a molecular weight of 256.78 g/mol, XLogP of -1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iron;iron(5+);methanone is sourced from PubChem (CID 174711267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).