ethene;iron

C4H8Fe — CID 157145785

IUPACethene;iron
SMILESC=C.C=C.[Fe]
InChIInChI=1S/2C2H4.Fe/c2*1-2;/h2*1-2H2;
InChIKeyAKRNPIZNLZAUEA-UHFFFAOYSA-N
MW111.95 g/mol
LogP1.60
Rot. Bonds

About ethene;iron

ethene;iron (PubChem CID 157145785) has the molecular formula C4H8Fe and a molecular weight of 111.95 g/mol. Its IUPAC name is ethene;iron.

Molecular Properties

Compound Nameethene;iron
PubChem CID157145785
Molecular FormulaC4H8Fe
Molecular Weight111.95 g/mol
Exact Mass112.00
IUPAC Nameethene;iron
SMILESC=C.C=C.[Fe]
InChIInChI=1S/2C2H4.Fe/c2*1-2;/h2*1-2H2;
InChIKeyAKRNPIZNLZAUEA-UHFFFAOYSA-N
XLogP1.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.95
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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ethene;trichloride
CID 23135135
CID 172809925
CID 172809925
ethene;indigane
CID 173405443
ethene;trihydrofluoride
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antimony(3+);ethene
CID 22289936
aluminum ethene
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Frequently Asked Questions

What is the IUPAC name of ethene;iron?
The IUPAC name of ethene;iron (CID 157145785) is ethene;iron.
What is the SMILES notation for ethene;iron?
The canonical SMILES for ethene;iron is C=C.C=C.[Fe].
What is the InChIKey of ethene;iron?
The InChIKey is AKRNPIZNLZAUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4.Fe/c2*1-2;/h2*1-2H2;.
What are the key properties of ethene;iron?
ethene;iron has a molecular weight of 111.95 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;iron is sourced from PubChem (CID 157145785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).