dialuminum;triacetate;trihydroxide;hydrate

C6H14Al2O10 — CID 173043947

IUPACdialuminum;triacetate;trihydroxide;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Al+3].[Al+3].[OH-].[OH-].[OH-]
InChIInChI=1S/3C2H4O2.2Al.4H2O/c3*1-2(3)4;;;;;;/h3*1H3,(H,3,4);;;4*1H2/q;;;2*+3;;;;/p-6
InChIKeyNHGFHUVBEIQDNL-UHFFFAOYSA-H
MW300.13 g/mol
LogP-5.85
Rot. Bonds

About dialuminum;triacetate;trihydroxide;hydrate

dialuminum;triacetate;trihydroxide;hydrate (PubChem CID 173043947) has the molecular formula C6H14Al2O10 and a molecular weight of 300.13 g/mol. Its IUPAC name is dialuminum;triacetate;trihydroxide;hydrate.

Molecular Properties

Compound Namedialuminum;triacetate;trihydroxide;hydrate
PubChem CID173043947
Molecular FormulaC6H14Al2O10
Molecular Weight300.13 g/mol
Exact Mass300.02
IUPAC Namedialuminum;triacetate;trihydroxide;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Al+3].[Al+3].[OH-].[OH-].[OH-]
InChIInChI=1S/3C2H4O2.2Al.4H2O/c3*1-2(3)4;;;;;;/h3*1H3,(H,3,4);;;4*1H2/q;;;2*+3;;;;/p-6
InChIKeyNHGFHUVBEIQDNL-UHFFFAOYSA-H
XLogP-5.85
TPSA241.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 5-5.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

nickel(2+);rubidium(1+);triacetate;tetrahydrate
CID 175195152
sodium;zinc;acetate;hydroxide;dihydrate
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tetrasodium;tetraacetate;hydrate
CID 141360802
vanadium;triacetate;hydrate
CID 102418603
yttrium(3+);triacetate;hydrate
CID 57376990
praseodymium(3+);triacetate;trihydrate
CID 172733090
CID 170997536
CID 170997536
iron(2+);diacetate;heptahydrate
CID 173209391
zinc;diacetate;heptahydrate
CID 161319738
sodium;acetate;trihydrate
CID 23665404
tin(2+);diacetate;dihydrate
CID 174049693
strontium;acetate;hexahydrate
CID 19795582

Frequently Asked Questions

What is the IUPAC name of dialuminum;triacetate;trihydroxide;hydrate?
The IUPAC name of dialuminum;triacetate;trihydroxide;hydrate (CID 173043947) is dialuminum;triacetate;trihydroxide;hydrate.
What is the SMILES notation for dialuminum;triacetate;trihydroxide;hydrate?
The canonical SMILES for dialuminum;triacetate;trihydroxide;hydrate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Al+3].[Al+3].[OH-].[OH-].[OH-].
What is the InChIKey of dialuminum;triacetate;trihydroxide;hydrate?
The InChIKey is NHGFHUVBEIQDNL-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H4O2.2Al.4H2O/c3*1-2(3)4;;;;;;/h3*1H3,(H,3,4);;;4*1H2/q;;;2*+3;;;;/p-6.
What are the key properties of dialuminum;triacetate;trihydroxide;hydrate?
dialuminum;triacetate;trihydroxide;hydrate has a molecular weight of 300.13 g/mol, XLogP of -5.85, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;triacetate;trihydroxide;hydrate is sourced from PubChem (CID 173043947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).