europium(3+);tris(4-oxopent-2-en-2-olate);hydrate

C15H23EuO7 — CID 162394300

IUPACeuropium(3+);tris(4-oxopent-2-en-2-olate);hydrate
SMILESCC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].O.[Eu+3]
InChIInChI=1S/3C5H8O2.Eu.H2O/c3*1-4(6)3-5(2)7;;/h3*3,6H,1-2H3;;1H2/q;;;+3;/p-3
InChIKeyGLDOQTGHEKXAIO-UHFFFAOYSA-K
MW467.31 g/mol
LogP-1.31
Rot. Bonds3

About europium(3+);tris(4-oxopent-2-en-2-olate);hydrate

europium(3+);tris(4-oxopent-2-en-2-olate);hydrate (PubChem CID 162394300) has the molecular formula C15H23EuO7 and a molecular weight of 467.31 g/mol. Its IUPAC name is europium(3+);tris(4-oxopent-2-en-2-olate);hydrate.

Molecular Properties

Compound Nameeuropium(3+);tris(4-oxopent-2-en-2-olate);hydrate
PubChem CID162394300
Molecular FormulaC15H23EuO7
Molecular Weight467.31 g/mol
Exact Mass468.07
IUPAC Nameeuropium(3+);tris(4-oxopent-2-en-2-olate);hydrate
SMILESCC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].O.[Eu+3]
InChIInChI=1S/3C5H8O2.Eu.H2O/c3*1-4(6)3-5(2)7;;/h3*3,6H,1-2H3;;1H2/q;;;+3;/p-3
InChIKeyGLDOQTGHEKXAIO-UHFFFAOYSA-K
XLogP-1.31
TPSA151.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.31
LogP ≤ 5-1.31
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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Frequently Asked Questions

What is the IUPAC name of europium(3+);tris(4-oxopent-2-en-2-olate);hydrate?
The IUPAC name of europium(3+);tris(4-oxopent-2-en-2-olate);hydrate (CID 162394300) is europium(3+);tris(4-oxopent-2-en-2-olate);hydrate.
What is the SMILES notation for europium(3+);tris(4-oxopent-2-en-2-olate);hydrate?
The canonical SMILES for europium(3+);tris(4-oxopent-2-en-2-olate);hydrate is CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].O.[Eu+3].
What is the InChIKey of europium(3+);tris(4-oxopent-2-en-2-olate);hydrate?
The InChIKey is GLDOQTGHEKXAIO-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H8O2.Eu.H2O/c3*1-4(6)3-5(2)7;;/h3*3,6H,1-2H3;;1H2/q;;;+3;/p-3.
What are the key properties of europium(3+);tris(4-oxopent-2-en-2-olate);hydrate?
europium(3+);tris(4-oxopent-2-en-2-olate);hydrate has a molecular weight of 467.31 g/mol, XLogP of -1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);tris(4-oxopent-2-en-2-olate);hydrate is sourced from PubChem (CID 162394300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).