carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone

C14H12Fe2O4 — CID 44630214

IUPACcarbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone
SMILES[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2CHO.2CO.2Fe/c2*1-2-4-5-3-1;4*1-2;;/h2*1-5H;2*1H;;;;/q4*-1;;;2*+2
InChIKeyFMOYQLHCKHIWFF-UHFFFAOYSA-N
MW355.94 g/mol
LogP2.18
Rot. Bonds

About carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone

carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone (PubChem CID 44630214) has the molecular formula C14H12Fe2O4 and a molecular weight of 355.94 g/mol. Its IUPAC name is carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone.

Molecular Properties

Compound Namecarbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone
PubChem CID44630214
Molecular FormulaC14H12Fe2O4
Molecular Weight355.94 g/mol
Exact Mass355.94
IUPAC Namecarbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone
SMILES[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2CHO.2CO.2Fe/c2*1-2-4-5-3-1;4*1-2;;/h2*1-5H;2*1H;;;;/q4*-1;;;2*+2
InChIKeyFMOYQLHCKHIWFF-UHFFFAOYSA-N
XLogP2.18
TPSA73.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.94
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone?
The IUPAC name of carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone (CID 44630214) is carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone.
What is the SMILES notation for carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone?
The canonical SMILES for carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone is [C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone?
The InChIKey is FMOYQLHCKHIWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2CHO.2CO.2Fe/c2*1-2-4-5-3-1;4*1-2;;/h2*1-5H;2*1H;;;;/q4*-1;;;2*+2.
What are the key properties of carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone?
carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone has a molecular weight of 355.94 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone is sourced from PubChem (CID 44630214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).