dialuminum;ethanolate;triacetate

C12H24Al2O9 — CID 173401507

IUPACdialuminum;ethanolate;triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC[O-].CC[O-].CC[O-].[Al+3].[Al+3]
InChIInChI=1S/3C2H4O2.3C2H5O.2Al/c3*1-2(3)4;3*1-2-3;;/h3*1H3,(H,3,4);3*2H2,1H3;;/q;;;3*-1;2*+3/p-3
InChIKeyZGDRKXBLAXTFMT-UHFFFAOYSA-K
MW366.28 g/mol
LogP-6.39
Rot. Bonds

About dialuminum;ethanolate;triacetate

dialuminum;ethanolate;triacetate (PubChem CID 173401507) has the molecular formula C12H24Al2O9 and a molecular weight of 366.28 g/mol. Its IUPAC name is dialuminum;ethanolate;triacetate.

Molecular Properties

Compound Namedialuminum;ethanolate;triacetate
PubChem CID173401507
Molecular FormulaC12H24Al2O9
Molecular Weight366.28 g/mol
Exact Mass366.11
IUPAC Namedialuminum;ethanolate;triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC[O-].CC[O-].CC[O-].[Al+3].[Al+3]
InChIInChI=1S/3C2H4O2.3C2H5O.2Al/c3*1-2(3)4;3*1-2-3;;/h3*1H3,(H,3,4);3*2H2,1H3;;/q;;;3*-1;2*+3/p-3
InChIKeyZGDRKXBLAXTFMT-UHFFFAOYSA-K
XLogP-6.39
TPSA189.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 5-6.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dialuminum;ethanolate;triacetate?
The IUPAC name of dialuminum;ethanolate;triacetate (CID 173401507) is dialuminum;ethanolate;triacetate.
What is the SMILES notation for dialuminum;ethanolate;triacetate?
The canonical SMILES for dialuminum;ethanolate;triacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC[O-].CC[O-].CC[O-].[Al+3].[Al+3].
What is the InChIKey of dialuminum;ethanolate;triacetate?
The InChIKey is ZGDRKXBLAXTFMT-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H4O2.3C2H5O.2Al/c3*1-2(3)4;3*1-2-3;;/h3*1H3,(H,3,4);3*2H2,1H3;;/q;;;3*-1;2*+3/p-3.
What are the key properties of dialuminum;ethanolate;triacetate?
dialuminum;ethanolate;triacetate has a molecular weight of 366.28 g/mol, XLogP of -6.39, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;ethanolate;triacetate is sourced from PubChem (CID 173401507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).