aluminum tris((E)-4-oxopent-2-en-2-olate)

C15H21AlO6 — CID 24884163

IUPACaluminum tris((E)-4-oxopent-2-en-2-olate)
SMILESCC(=O)/C=C(\C)[O-].CC(=O)/C=C(\C)[O-].CC(=O)/C=C(\C)[O-].[Al+3]
InChIInChI=1S/3C5H8O2.Al/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3+;
InChIKeyKILURZWTCGSYRE-MUCWUPSWSA-K
MW324.31 g/mol
LogP-0.86
Rot. Bonds3

About aluminum tris((E)-4-oxopent-2-en-2-olate)

aluminum tris((E)-4-oxopent-2-en-2-olate) (PubChem CID 24884163) has the molecular formula C15H21AlO6 and a molecular weight of 324.31 g/mol. Its IUPAC name is aluminum tris((E)-4-oxopent-2-en-2-olate).

Molecular Properties

Compound Namealuminum tris((E)-4-oxopent-2-en-2-olate)
PubChem CID24884163
Molecular FormulaC15H21AlO6
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Namealuminum tris((E)-4-oxopent-2-en-2-olate)
SMILESCC(=O)/C=C(\C)[O-].CC(=O)/C=C(\C)[O-].CC(=O)/C=C(\C)[O-].[Al+3]
InChIInChI=1S/3C5H8O2.Al/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3+;
InChIKeyKILURZWTCGSYRE-MUCWUPSWSA-K
XLogP-0.86
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis((Z)-4-oxopent-2-en-2-olate);oxovanadium(2+)
CID 5486770
bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+)
CID 6509855
tris((Z)-4-oxopent-2-en-2-olate);platinum
CID 173155948
indium(3+);tris(4-oxopent-2-en-2-olate)
CID 26667
osmium(2+);bis((Z)-4-oxopent-2-en-2-olate)
CID 22026952
bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)
CID 5483736
tris((Z)-4-oxopent-2-en-2-olate);ytterbium(3+)
CID 14455610
gallium (Z)-4-oxopent-2-en-2-olate
CID 154828612
bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)
CID 5486778
gold(1+);(Z)-4-oxopent-2-en-2-olate
CID 18374019
lanthanum(3+);tris((E)-4-oxopent-2-en-2-olate)
CID 53384561
tetrakis(4-oxopent-2-en-2-olate);thorium(4+)
CID 3035394

Frequently Asked Questions

What is the IUPAC name of aluminum tris((E)-4-oxopent-2-en-2-olate)?
The IUPAC name of aluminum tris((E)-4-oxopent-2-en-2-olate) (CID 24884163) is aluminum tris((E)-4-oxopent-2-en-2-olate).
What is the SMILES notation for aluminum tris((E)-4-oxopent-2-en-2-olate)?
The canonical SMILES for aluminum tris((E)-4-oxopent-2-en-2-olate) is CC(=O)/C=C(\C)[O-].CC(=O)/C=C(\C)[O-].CC(=O)/C=C(\C)[O-].[Al+3].
What is the InChIKey of aluminum tris((E)-4-oxopent-2-en-2-olate)?
The InChIKey is KILURZWTCGSYRE-MUCWUPSWSA-K. The full InChI is InChI=1S/3C5H8O2.Al/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3+;.
What are the key properties of aluminum tris((E)-4-oxopent-2-en-2-olate)?
aluminum tris((E)-4-oxopent-2-en-2-olate) has a molecular weight of 324.31 g/mol, XLogP of -0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris((E)-4-oxopent-2-en-2-olate) is sourced from PubChem (CID 24884163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).