magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate

C10H16MgO5 — CID 133109982

IUPACmagnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].O.[Mg+2]
InChIInChI=1S/2C5H8O2.Mg.H2O/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;1H2/q;;+2;/p-2/b2*4-3-;;
InChIKeyYJORERATNZUASO-SUKNRPLKSA-L
MW240.54 g/mol
LogP-1.53
Rot. Bonds2

About magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate

magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate (PubChem CID 133109982) has the molecular formula C10H16MgO5 and a molecular weight of 240.54 g/mol. Its IUPAC name is magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate.

Molecular Properties

Compound Namemagnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate
PubChem CID133109982
Molecular FormulaC10H16MgO5
Molecular Weight240.54 g/mol
Exact Mass240.08
IUPAC Namemagnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].O.[Mg+2]
InChIInChI=1S/2C5H8O2.Mg.H2O/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;1H2/q;;+2;/p-2/b2*4-3-;;
InChIKeyYJORERATNZUASO-SUKNRPLKSA-L
XLogP-1.53
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.54
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(Z)-4-oxopent-2-en-2-olate;yttrium(3+);trihydrate
CID 18003156
bis(4-oxopent-2-en-2-olate);vanadium(2+);hydrate
CID 136863048
europium(3+);tris(4-oxopent-2-en-2-olate);hydrate
CID 162394300
europium(3+);tris((Z)-4-oxopent-2-en-2-olate);hydrate
CID 131675702
indium(3+);tris(4-oxopent-2-en-2-olate)
CID 26667
tris((Z)-4-oxopent-2-en-2-olate);platinum
CID 173155948
osmium(2+);bis((Z)-4-oxopent-2-en-2-olate)
CID 22026952
tris((Z)-4-oxopent-2-en-2-olate);ytterbium(3+)
CID 14455610
bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)
CID 5483736
gallium (Z)-4-oxopent-2-en-2-olate
CID 154828612
aluminum tris((E)-4-oxopent-2-en-2-olate)
CID 24884163
bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)
CID 5486778

Frequently Asked Questions

What is the IUPAC name of magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate?
The IUPAC name of magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate (CID 133109982) is magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate.
What is the SMILES notation for magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate?
The canonical SMILES for magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate is CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].O.[Mg+2].
What is the InChIKey of magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate?
The InChIKey is YJORERATNZUASO-SUKNRPLKSA-L. The full InChI is InChI=1S/2C5H8O2.Mg.H2O/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;1H2/q;;+2;/p-2/b2*4-3-;;.
What are the key properties of magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate?
magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate has a molecular weight of 240.54 g/mol, XLogP of -1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate is sourced from PubChem (CID 133109982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).