ethoxyaluminum(2+) dichloride

C2H5AlCl2O — CID 22239857

IUPACethoxyaluminum(2+) dichloride
SMILESCCO[Al+2].[Cl-].[Cl-]
InChIInChI=1S/C2H5O.Al.2ClH/c1-2-3;;;/h2H2,1H3;;2*1H/q-1;+3;;/p-2
InChIKeyNPEFICOHWIZPMC-UHFFFAOYSA-L
MW142.95 g/mol
LogP-5.89
Rot. Bonds1

About ethoxyaluminum(2+) dichloride

ethoxyaluminum(2+) dichloride (PubChem CID 22239857) has the molecular formula C2H5AlCl2O and a molecular weight of 142.95 g/mol. Its IUPAC name is ethoxyaluminum(2+) dichloride.

Molecular Properties

Compound Nameethoxyaluminum(2+) dichloride
PubChem CID22239857
Molecular FormulaC2H5AlCl2O
Molecular Weight142.95 g/mol
Exact Mass141.95
IUPAC Nameethoxyaluminum(2+) dichloride
SMILESCCO[Al+2].[Cl-].[Cl-]
InChIInChI=1S/C2H5O.Al.2ClH/c1-2-3;;;/h2H2,1H3;;2*1H/q-1;+3;;/p-2
InChIKeyNPEFICOHWIZPMC-UHFFFAOYSA-L
XLogP-5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.95
LogP ≤ 5-5.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethoxyaluminum(2+) 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 ethoxyaluminum(2+) dichloride?
The IUPAC name of ethoxyaluminum(2+) dichloride (CID 22239857) is ethoxyaluminum(2+) dichloride.
What is the SMILES notation for ethoxyaluminum(2+) dichloride?
The canonical SMILES for ethoxyaluminum(2+) dichloride is CCO[Al+2].[Cl-].[Cl-].
What is the InChIKey of ethoxyaluminum(2+) dichloride?
The InChIKey is NPEFICOHWIZPMC-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H5O.Al.2ClH/c1-2-3;;;/h2H2,1H3;;2*1H/q-1;+3;;/p-2.
What are the key properties of ethoxyaluminum(2+) dichloride?
ethoxyaluminum(2+) dichloride has a molecular weight of 142.95 g/mol, XLogP of -5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyaluminum(2+) dichloride is sourced from PubChem (CID 22239857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).