2,4-dioxopentan-3-ylthallium

C5H7O2Tl — CID 10859654

IUPAC2,4-dioxopentan-3-ylthallium
SMILESCC(=O)C([Tl])C(C)=O
InChIInChI=1S/C5H7O2.Tl/c1-4(6)3-5(2)7;/h3H,1-2H3;
InChIKeySANUIBGBTMBXBN-UHFFFAOYSA-N
MW303.49 g/mol
LogP0.12
Rot. Bonds2

About 2,4-dioxopentan-3-ylthallium

2,4-dioxopentan-3-ylthallium (PubChem CID 10859654) has the molecular formula C5H7O2Tl and a molecular weight of 303.49 g/mol. Its IUPAC name is 2,4-dioxopentan-3-ylthallium.

Molecular Properties

Compound Name2,4-dioxopentan-3-ylthallium
PubChem CID10859654
Molecular FormulaC5H7O2Tl
Molecular Weight303.49 g/mol
Exact Mass304.02
IUPAC Name2,4-dioxopentan-3-ylthallium
SMILESCC(=O)C([Tl])C(C)=O
InChIInChI=1S/C5H7O2.Tl/c1-4(6)3-5(2)7;/h3H,1-2H3;
InChIKeySANUIBGBTMBXBN-UHFFFAOYSA-N
XLogP0.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dioxopentan-3-ylthallium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxopentan-3-ylthallium?
The IUPAC name of 2,4-dioxopentan-3-ylthallium (CID 10859654) is 2,4-dioxopentan-3-ylthallium.
What is the SMILES notation for 2,4-dioxopentan-3-ylthallium?
The canonical SMILES for 2,4-dioxopentan-3-ylthallium is CC(=O)C([Tl])C(C)=O.
What is the InChIKey of 2,4-dioxopentan-3-ylthallium?
The InChIKey is SANUIBGBTMBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O2.Tl/c1-4(6)3-5(2)7;/h3H,1-2H3;.
What are the key properties of 2,4-dioxopentan-3-ylthallium?
2,4-dioxopentan-3-ylthallium has a molecular weight of 303.49 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxopentan-3-ylthallium is sourced from PubChem (CID 10859654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).