gallium (Z)-4-oxopent-2-en-2-olate

C5H7GaO2+2 — CID 154828612

IUPACgallium (Z)-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(/C)[O-].[Ga+3]
InChIInChI=1S/C5H8O2.Ga/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+3/p-1/b4-3-;
InChIKeyPYFGAHKYVJPQNQ-LNKPDPKZSA-M
MW168.83 g/mol
LogP-0.54
Rot. Bonds1

About gallium (Z)-4-oxopent-2-en-2-olate

gallium (Z)-4-oxopent-2-en-2-olate (PubChem CID 154828612) has the molecular formula C5H7GaO2+2 and a molecular weight of 168.83 g/mol. Its IUPAC name is gallium (Z)-4-oxopent-2-en-2-olate.

Molecular Properties

Compound Namegallium (Z)-4-oxopent-2-en-2-olate
PubChem CID154828612
Molecular FormulaC5H7GaO2+2
Molecular Weight168.83 g/mol
Exact Mass167.97
IUPAC Namegallium (Z)-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(/C)[O-].[Ga+3]
InChIInChI=1S/C5H8O2.Ga/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+3/p-1/b4-3-;
InChIKeyPYFGAHKYVJPQNQ-LNKPDPKZSA-M
XLogP-0.54
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.83
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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
bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)
CID 5486778
aluminum tris((E)-4-oxopent-2-en-2-olate)
CID 24884163
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
bis((Z)-4-oxopent-2-en-2-olate);oxovanadium(2+)
CID 5486770
bis((E)-4-oxopent-2-en-2-olate);oxovanadium(2+)
CID 6509855

Frequently Asked Questions

What is the IUPAC name of gallium (Z)-4-oxopent-2-en-2-olate?
The IUPAC name of gallium (Z)-4-oxopent-2-en-2-olate (CID 154828612) is gallium (Z)-4-oxopent-2-en-2-olate.
What is the SMILES notation for gallium (Z)-4-oxopent-2-en-2-olate?
The canonical SMILES for gallium (Z)-4-oxopent-2-en-2-olate is CC(=O)/C=C(/C)[O-].[Ga+3].
What is the InChIKey of gallium (Z)-4-oxopent-2-en-2-olate?
The InChIKey is PYFGAHKYVJPQNQ-LNKPDPKZSA-M. The full InChI is InChI=1S/C5H8O2.Ga/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+3/p-1/b4-3-;.
What are the key properties of gallium (Z)-4-oxopent-2-en-2-olate?
gallium (Z)-4-oxopent-2-en-2-olate has a molecular weight of 168.83 g/mol, XLogP of -0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gallium (Z)-4-oxopent-2-en-2-olate is sourced from PubChem (CID 154828612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).