bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)

C10H14O4Pd — CID 5486778

IUPACbis((Z)-4-oxopent-2-en-2-olate);palladium(2+)
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Pd+2]
InChIInChI=1S/2C5H8O2.Pd/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;
InChIKeyJKDRQYIYVJVOPF-FDGPNNRMSA-L
MW304.64 g/mol
LogP-0.32
Rot. Bonds2

About bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)

bis((Z)-4-oxopent-2-en-2-olate);palladium(2+) (PubChem CID 5486778) has the molecular formula C10H14O4Pd and a molecular weight of 304.64 g/mol. Its IUPAC name is bis((Z)-4-oxopent-2-en-2-olate);palladium(2+).

Molecular Properties

Compound Namebis((Z)-4-oxopent-2-en-2-olate);palladium(2+)
PubChem CID5486778
Molecular FormulaC10H14O4Pd
Molecular Weight304.64 g/mol
Exact Mass303.99
IUPAC Namebis((Z)-4-oxopent-2-en-2-olate);palladium(2+)
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Pd+2]
InChIInChI=1S/2C5H8O2.Pd/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;
InChIKeyJKDRQYIYVJVOPF-FDGPNNRMSA-L
XLogP-0.32
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.64
LogP ≤ 5-0.32
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'}

Analyze bis((Z)-4-oxopent-2-en-2-olate);palladium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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 bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)?
The IUPAC name of bis((Z)-4-oxopent-2-en-2-olate);palladium(2+) (CID 5486778) is bis((Z)-4-oxopent-2-en-2-olate);palladium(2+).
What is the SMILES notation for bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)?
The canonical SMILES for bis((Z)-4-oxopent-2-en-2-olate);palladium(2+) is CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Pd+2].
What is the InChIKey of bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)?
The InChIKey is JKDRQYIYVJVOPF-FDGPNNRMSA-L. The full InChI is InChI=1S/2C5H8O2.Pd/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;.
What are the key properties of bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)?
bis((Z)-4-oxopent-2-en-2-olate);palladium(2+) has a molecular weight of 304.64 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-4-oxopent-2-en-2-olate);palladium(2+) is sourced from PubChem (CID 5486778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).