2,4-dioxopentanoic acid;iridium

C5H6IrO4 — CID 87676479

IUPAC2,4-dioxopentanoic acid;iridium
SMILESCC(=O)CC(=O)C(=O)O.[Ir]
InChIInChI=1S/C5H6O4.Ir/c1-3(6)2-4(7)5(8)9;/h2H2,1H3,(H,8,9);
InChIKeyYUQFXTHWIUOCDD-UHFFFAOYSA-N
MW322.32 g/mol
LogP-0.38
Rot. Bonds3

About 2,4-dioxopentanoic acid;iridium

2,4-dioxopentanoic acid;iridium (PubChem CID 87676479) has the molecular formula C5H6IrO4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2,4-dioxopentanoic acid;iridium.

Molecular Properties

Compound Name2,4-dioxopentanoic acid;iridium
PubChem CID87676479
Molecular FormulaC5H6IrO4
Molecular Weight322.32 g/mol
Exact Mass322.99
IUPAC Name2,4-dioxopentanoic acid;iridium
SMILESCC(=O)CC(=O)C(=O)O.[Ir]
InChIInChI=1S/C5H6O4.Ir/c1-3(6)2-4(7)5(8)9;/h2H2,1H3,(H,8,9);
InChIKeyYUQFXTHWIUOCDD-UHFFFAOYSA-N
XLogP-0.38
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2,4-dioxopentanoic acid;iridium 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

2,4-dioxopentanoic acid;palladium
CID 87130936
2,4-dioxopentanoic acid;gadolinium
CID 87456221
2,4-dioxopentanoic acid;rhodium
CID 87833287
acetic acid;alumane;2,4-dioxopentanoic acid
CID 175287698
bis(2,4-dioxopentanoic acid);nickel;hexahydrate
CID 166064531
CID 87196635
CID 87196635
titanium;2,4,6-trioxoheptanoic acid
CID 174769229
butan-1-ol;2,4-dioxopentanoic acid;zirconium
CID 174576253
CID 87196642
CID 87196642
Lithium pentane-2,4-dione
CID 86735745
CID 158744301
CID 158744301
3-oxobutanoic acid
CID 96

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxopentanoic acid;iridium?
The IUPAC name of 2,4-dioxopentanoic acid;iridium (CID 87676479) is 2,4-dioxopentanoic acid;iridium.
What is the SMILES notation for 2,4-dioxopentanoic acid;iridium?
The canonical SMILES for 2,4-dioxopentanoic acid;iridium is CC(=O)CC(=O)C(=O)O.[Ir].
What is the InChIKey of 2,4-dioxopentanoic acid;iridium?
The InChIKey is YUQFXTHWIUOCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.Ir/c1-3(6)2-4(7)5(8)9;/h2H2,1H3,(H,8,9);.
What are the key properties of 2,4-dioxopentanoic acid;iridium?
2,4-dioxopentanoic acid;iridium has a molecular weight of 322.32 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxopentanoic acid;iridium is sourced from PubChem (CID 87676479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).