iron(2+);triethylalumane;dichloride

C6H15AlCl2Fe — CID 174842449

IUPACiron(2+);triethylalumane;dichloride
SMILESCC[Al](CC)CC.[Cl-].[Cl-].[Fe+2]
InChIInChI=1S/3C2H5.Al.2ClH.Fe/c3*1-2;;;;/h3*1H2,2H3;;2*1H;/q;;;;;;+2/p-2
InChIKeyQNZGVNQNRDHYBT-UHFFFAOYSA-L
MW240.92 g/mol
LogP-3.45
Rot. Bonds3

About iron(2+);triethylalumane;dichloride

iron(2+);triethylalumane;dichloride (PubChem CID 174842449) has the molecular formula C6H15AlCl2Fe and a molecular weight of 240.92 g/mol. Its IUPAC name is iron(2+);triethylalumane;dichloride.

Molecular Properties

Compound Nameiron(2+);triethylalumane;dichloride
PubChem CID174842449
Molecular FormulaC6H15AlCl2Fe
Molecular Weight240.92 g/mol
Exact Mass239.97
IUPAC Nameiron(2+);triethylalumane;dichloride
SMILESCC[Al](CC)CC.[Cl-].[Cl-].[Fe+2]
InChIInChI=1S/3C2H5.Al.2ClH.Fe/c3*1-2;;;;/h3*1H2,2H3;;2*1H;/q;;;;;;+2/p-2
InChIKeyQNZGVNQNRDHYBT-UHFFFAOYSA-L
XLogP-3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.92
LogP ≤ 5-3.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze iron(2+);triethylalumane;dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of iron(2+);triethylalumane;dichloride?
The IUPAC name of iron(2+);triethylalumane;dichloride (CID 174842449) is iron(2+);triethylalumane;dichloride.
What is the SMILES notation for iron(2+);triethylalumane;dichloride?
The canonical SMILES for iron(2+);triethylalumane;dichloride is CC[Al](CC)CC.[Cl-].[Cl-].[Fe+2].
What is the InChIKey of iron(2+);triethylalumane;dichloride?
The InChIKey is QNZGVNQNRDHYBT-UHFFFAOYSA-L. The full InChI is InChI=1S/3C2H5.Al.2ClH.Fe/c3*1-2;;;;/h3*1H2,2H3;;2*1H;/q;;;;;;+2/p-2.
What are the key properties of iron(2+);triethylalumane;dichloride?
iron(2+);triethylalumane;dichloride has a molecular weight of 240.92 g/mol, XLogP of -3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);triethylalumane;dichloride is sourced from PubChem (CID 174842449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).