magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate

C15H28MgO3 — CID 71301313

IUPACmagnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(/C)[O-].CCCCCCCCCC[O-].[Mg+2]
InChIInChI=1S/C10H21O.C5H8O2.Mg/c1-2-3-4-5-6-7-8-9-10-11;1-4(6)3-5(2)7;/h2-10H2,1H3;3,6H,1-2H3;/q-1;;+2/p-1/b;4-3-;
InChIKeyQJXGWPWFRLUOFU-LWFKIUJUSA-M
MW280.69 g/mol
LogP1.95
Rot. Bonds9

About magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate

magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate (PubChem CID 71301313) has the molecular formula C15H28MgO3 and a molecular weight of 280.69 g/mol. Its IUPAC name is magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate.

Molecular Properties

Compound Namemagnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate
PubChem CID71301313
Molecular FormulaC15H28MgO3
Molecular Weight280.69 g/mol
Exact Mass280.19
IUPAC Namemagnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(/C)[O-].CCCCCCCCCC[O-].[Mg+2]
InChIInChI=1S/C10H21O.C5H8O2.Mg/c1-2-3-4-5-6-7-8-9-10-11;1-4(6)3-5(2)7;/h2-10H2,1H3;3,6H,1-2H3;/q-1;;+2/p-1/b;4-3-;
InChIKeyQJXGWPWFRLUOFU-LWFKIUJUSA-M
XLogP1.95
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(octane);bis(4-oxopent-2-en-2-olate);tin(4+)
CID 57373239
tetrakis(butan-1-ol);bis((Z)-4-oxopent-2-en-2-olate);titanium
CID 22465947
tetrakis(4-oxopent-2-en-2-olate);thorium(4+)
CID 3035394
magnesium;bis((Z)-4-oxopent-2-en-2-olate);hydrate
CID 133109982
magnesium decan-1-olate
CID 3015949
zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate
CID 19794979
butane;bis((Z)-4-oxopent-2-en-2-olate);titanium(4+)
CID 87992311
indium(3+);tris(4-oxopent-2-en-2-olate)
CID 26667
tris((Z)-4-oxopent-2-en-2-olate);ytterbium(3+)
CID 14455610
bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)
CID 5483736
osmium(2+);bis((Z)-4-oxopent-2-en-2-olate)
CID 22026952
lanthanum(3+);tris((E)-4-oxopent-2-en-2-olate)
CID 53384561

Frequently Asked Questions

What is the IUPAC name of magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate?
The IUPAC name of magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate (CID 71301313) is magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate.
What is the SMILES notation for magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate?
The canonical SMILES for magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate is CC(=O)/C=C(/C)[O-].CCCCCCCCCC[O-].[Mg+2].
What is the InChIKey of magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate?
The InChIKey is QJXGWPWFRLUOFU-LWFKIUJUSA-M. The full InChI is InChI=1S/C10H21O.C5H8O2.Mg/c1-2-3-4-5-6-7-8-9-10-11;1-4(6)3-5(2)7;/h2-10H2,1H3;3,6H,1-2H3;/q-1;;+2/p-1/b;4-3-;.
What are the key properties of magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate?
magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate has a molecular weight of 280.69 g/mol, XLogP of 1.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;decan-1-olate;(Z)-4-oxopent-2-en-2-olate is sourced from PubChem (CID 71301313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).