aluminum;ethanol;trichloride;hydrate

C2H8AlCl3O2 — CID 174484956

IUPACaluminum;ethanol;trichloride;hydrate
SMILESCCO.O.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C2H6O.Al.3ClH.H2O/c1-2-3;;;;;/h3H,2H2,1H3;;3*1H;1H2/q;+3;;;;/p-3
InChIKeyQWOWAIKVUCQWLX-UHFFFAOYSA-K
MW197.42 g/mol
LogP-10.19
Rot. Bonds

About aluminum;ethanol;trichloride;hydrate

aluminum;ethanol;trichloride;hydrate (PubChem CID 174484956) has the molecular formula C2H8AlCl3O2 and a molecular weight of 197.42 g/mol. Its IUPAC name is aluminum;ethanol;trichloride;hydrate.

Molecular Properties

Compound Namealuminum;ethanol;trichloride;hydrate
PubChem CID174484956
Molecular FormulaC2H8AlCl3O2
Molecular Weight197.42 g/mol
Exact Mass195.94
IUPAC Namealuminum;ethanol;trichloride;hydrate
SMILESCCO.O.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C2H6O.Al.3ClH.H2O/c1-2-3;;;;;/h3H,2H2,1H3;;3*1H;1H2/q;+3;;;;/p-3
InChIKeyQWOWAIKVUCQWLX-UHFFFAOYSA-K
XLogP-10.19
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.42
LogP ≤ 5-10.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of aluminum;ethanol;trichloride;hydrate?
The IUPAC name of aluminum;ethanol;trichloride;hydrate (CID 174484956) is aluminum;ethanol;trichloride;hydrate.
What is the SMILES notation for aluminum;ethanol;trichloride;hydrate?
The canonical SMILES for aluminum;ethanol;trichloride;hydrate is CCO.O.[Al+3].[Cl-].[Cl-].[Cl-].
What is the InChIKey of aluminum;ethanol;trichloride;hydrate?
The InChIKey is QWOWAIKVUCQWLX-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H6O.Al.3ClH.H2O/c1-2-3;;;;;/h3H,2H2,1H3;;3*1H;1H2/q;+3;;;;/p-3.
What are the key properties of aluminum;ethanol;trichloride;hydrate?
aluminum;ethanol;trichloride;hydrate has a molecular weight of 197.42 g/mol, XLogP of -10.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;ethanol;trichloride;hydrate is sourced from PubChem (CID 174484956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).