aluminum;2-ethyl-3-oxobutanoate;dihydroxide

C6H11AlO5 — CID 174056917

IUPACaluminum;2-ethyl-3-oxobutanoate;dihydroxide
SMILESCCC(C(C)=O)C(=O)[O-].[Al+3].[OH-].[OH-]
InChIInChI=1S/C6H10O3.Al.2H2O/c1-3-5(4(2)7)6(8)9;;;/h5H,3H2,1-2H3,(H,8,9);;2*1H2/q;+3;;/p-3
InChIKeyYILMQTBDRCOPJE-UHFFFAOYSA-K
MW190.13 g/mol
LogP-1.38
Rot. Bonds3

About aluminum;2-ethyl-3-oxobutanoate;dihydroxide

aluminum;2-ethyl-3-oxobutanoate;dihydroxide (PubChem CID 174056917) has the molecular formula C6H11AlO5 and a molecular weight of 190.13 g/mol. Its IUPAC name is aluminum;2-ethyl-3-oxobutanoate;dihydroxide.

Molecular Properties

Compound Namealuminum;2-ethyl-3-oxobutanoate;dihydroxide
PubChem CID174056917
Molecular FormulaC6H11AlO5
Molecular Weight190.13 g/mol
Exact Mass190.04
IUPAC Namealuminum;2-ethyl-3-oxobutanoate;dihydroxide
SMILESCCC(C(C)=O)C(=O)[O-].[Al+3].[OH-].[OH-]
InChIInChI=1S/C6H10O3.Al.2H2O/c1-3-5(4(2)7)6(8)9;;;/h5H,3H2,1-2H3,(H,8,9);;2*1H2/q;+3;;/p-3
InChIKeyYILMQTBDRCOPJE-UHFFFAOYSA-K
XLogP-1.38
TPSA117.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2-ethyl-3-oxobutanoate);platinum(2+)
CID 87075399
tris(2-ethyl-3-oxobutanoate);propan-2-ol;zirconium(3+)
CID 172999441
bis(2-ethyl-3-oxobutanoate);bis(propan-2-ol);zirconium(2+)
CID 87072394
dialuminum;tris(2-ethylpropanedioate)
CID 157429593
bis(2-ethyl-3-oxobutanoate);bis(2-methylpropan-1-ol);zirconium(2+)
CID 87420710
bis(2-ethyl-3-oxobutanoate);propane-1,3-diol;titanium(2+)
CID 87088599
bis(butan-1-olate);bis(2-ethyl-3-oxobutanoate);titanium(4+)
CID 18401978
magnesium 2-ethylpropanedioate
CID 22261989
dialuminum;tris(2-ethyl-3-oxobutanoate);tris(oxido(triphenyl)silane)
CID 19099053
butoxyaluminum(2+);bis(2-ethyl-3-oxobutanoate)
CID 87243142
tris(2-ethyl-3-oxopentanoate);iron(3+)
CID 158768715
aluminum tris(2-acetyltetradecanoate)
CID 22342279

Frequently Asked Questions

What is the IUPAC name of aluminum;2-ethyl-3-oxobutanoate;dihydroxide?
The IUPAC name of aluminum;2-ethyl-3-oxobutanoate;dihydroxide (CID 174056917) is aluminum;2-ethyl-3-oxobutanoate;dihydroxide.
What is the SMILES notation for aluminum;2-ethyl-3-oxobutanoate;dihydroxide?
The canonical SMILES for aluminum;2-ethyl-3-oxobutanoate;dihydroxide is CCC(C(C)=O)C(=O)[O-].[Al+3].[OH-].[OH-].
What is the InChIKey of aluminum;2-ethyl-3-oxobutanoate;dihydroxide?
The InChIKey is YILMQTBDRCOPJE-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H10O3.Al.2H2O/c1-3-5(4(2)7)6(8)9;;;/h5H,3H2,1-2H3,(H,8,9);;2*1H2/q;+3;;/p-3.
What are the key properties of aluminum;2-ethyl-3-oxobutanoate;dihydroxide?
aluminum;2-ethyl-3-oxobutanoate;dihydroxide has a molecular weight of 190.13 g/mol, XLogP of -1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;2-ethyl-3-oxobutanoate;dihydroxide is sourced from PubChem (CID 174056917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).