aluminum;acetyl acetate;trichloride

C4H6AlCl3O3 — CID 86584360

IUPACaluminum;acetyl acetate;trichloride
SMILESCC(=O)OC(C)=O.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C4H6O3.Al.3ClH/c1-3(5)7-4(2)6;;;;/h1-2H3;;3*1H/q;+3;;;/p-3
InChIKeySGCLJUHRXZDXAL-UHFFFAOYSA-K
MW235.43 g/mol
LogP-9.27
Rot. Bonds

About aluminum;acetyl acetate;trichloride

aluminum;acetyl acetate;trichloride (PubChem CID 86584360) has the molecular formula C4H6AlCl3O3 and a molecular weight of 235.43 g/mol. Its IUPAC name is aluminum;acetyl acetate;trichloride.

Molecular Properties

Compound Namealuminum;acetyl acetate;trichloride
PubChem CID86584360
Molecular FormulaC4H6AlCl3O3
Molecular Weight235.43 g/mol
Exact Mass233.92
IUPAC Namealuminum;acetyl acetate;trichloride
SMILESCC(=O)OC(C)=O.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C4H6O3.Al.3ClH/c1-3(5)7-4(2)6;;;;/h1-2H3;;3*1H/q;+3;;;/p-3
InChIKeySGCLJUHRXZDXAL-UHFFFAOYSA-K
XLogP-9.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.43
LogP ≤ 5-9.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
CID 160689228
CID 160689228
acetyl acetate;carbanide;gold
CID 87857087
dicalcium;acetyl acetate;hydride
CID 174404063
acetyl acetate;zinc;dihydrate
CID 174593639
acetyl acetate;methoxymethane;propan-2-one
CID 158376836
dimagnesium;acetyl acetate;hydride;tetrahydrate
CID 174549676
acetyl acetate;bis(trifluoroborane)
CID 87483459
acetyl acetate;(2-chloroacetyl) 2-chloroacetate
CID 88728166
acetyl acetate;1,2-dichloroethane
CID 161071038
acetyl 2-deuterioacetate
CID 22812327

Frequently Asked Questions

What is the IUPAC name of aluminum;acetyl acetate;trichloride?
The IUPAC name of aluminum;acetyl acetate;trichloride (CID 86584360) is aluminum;acetyl acetate;trichloride.
What is the SMILES notation for aluminum;acetyl acetate;trichloride?
The canonical SMILES for aluminum;acetyl acetate;trichloride is CC(=O)OC(C)=O.[Al+3].[Cl-].[Cl-].[Cl-].
What is the InChIKey of aluminum;acetyl acetate;trichloride?
The InChIKey is SGCLJUHRXZDXAL-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H6O3.Al.3ClH/c1-3(5)7-4(2)6;;;;/h1-2H3;;3*1H/q;+3;;;/p-3.
What are the key properties of aluminum;acetyl acetate;trichloride?
aluminum;acetyl acetate;trichloride has a molecular weight of 235.43 g/mol, XLogP of -9.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;acetyl acetate;trichloride is sourced from PubChem (CID 86584360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).