gold(1+);(Z)-4-oxopent-2-en-2-olate

C5H7AuO2 — CID 18374019

IUPACgold(1+);(Z)-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(/C)[O-].[Au+]
InChIInChI=1S/C5H8O2.Au/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+1/p-1/b4-3-;
InChIKeyWYAVBABWQJRPGA-LNKPDPKZSA-M
MW296.08 g/mol
LogP-0.16
Rot. Bonds1

About gold(1+);(Z)-4-oxopent-2-en-2-olate

gold(1+);(Z)-4-oxopent-2-en-2-olate (PubChem CID 18374019) has the molecular formula C5H7AuO2 and a molecular weight of 296.08 g/mol. Its IUPAC name is gold(1+);(Z)-4-oxopent-2-en-2-olate.

Molecular Properties

Compound Namegold(1+);(Z)-4-oxopent-2-en-2-olate
PubChem CID18374019
Molecular FormulaC5H7AuO2
Molecular Weight296.08 g/mol
Exact Mass296.01
IUPAC Namegold(1+);(Z)-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(/C)[O-].[Au+]
InChIInChI=1S/C5H8O2.Au/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+1/p-1/b4-3-;
InChIKeyWYAVBABWQJRPGA-LNKPDPKZSA-M
XLogP-0.16
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 5-0.16
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
tris((Z)-4-oxopent-2-en-2-olate);ytterbium(3+)
CID 14455610
osmium(2+);bis((Z)-4-oxopent-2-en-2-olate)
CID 22026952
bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)
CID 5483736
aluminum tris((E)-4-oxopent-2-en-2-olate)
CID 24884163
gallium (Z)-4-oxopent-2-en-2-olate
CID 154828612
bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)
CID 5486778
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 gold(1+);(Z)-4-oxopent-2-en-2-olate?
The IUPAC name of gold(1+);(Z)-4-oxopent-2-en-2-olate (CID 18374019) is gold(1+);(Z)-4-oxopent-2-en-2-olate.
What is the SMILES notation for gold(1+);(Z)-4-oxopent-2-en-2-olate?
The canonical SMILES for gold(1+);(Z)-4-oxopent-2-en-2-olate is CC(=O)/C=C(/C)[O-].[Au+].
What is the InChIKey of gold(1+);(Z)-4-oxopent-2-en-2-olate?
The InChIKey is WYAVBABWQJRPGA-LNKPDPKZSA-M. The full InChI is InChI=1S/C5H8O2.Au/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+1/p-1/b4-3-;.
What are the key properties of gold(1+);(Z)-4-oxopent-2-en-2-olate?
gold(1+);(Z)-4-oxopent-2-en-2-olate has a molecular weight of 296.08 g/mol, XLogP of -0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);(Z)-4-oxopent-2-en-2-olate is sourced from PubChem (CID 18374019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).