heptane-2,4-dione;palladium(2+)

C7H12O2Pd+2 — CID 21417766

IUPACheptane-2,4-dione;palladium(2+)
SMILESCCCC(=O)CC(C)=O.[Pd+2]
InChIInChI=1S/C7H12O2.Pd/c1-3-4-7(9)5-6(2)8;/h3-5H2,1-2H3;/q;+2
InChIKeyKEGUPQXAXABABP-UHFFFAOYSA-N
MW234.59 g/mol
LogP1.33
Rot. Bonds4

About heptane-2,4-dione;palladium(2+)

heptane-2,4-dione;palladium(2+) (PubChem CID 21417766) has the molecular formula C7H12O2Pd+2 and a molecular weight of 234.59 g/mol. Its IUPAC name is heptane-2,4-dione;palladium(2+).

Molecular Properties

Compound Nameheptane-2,4-dione;palladium(2+)
PubChem CID21417766
Molecular FormulaC7H12O2Pd+2
Molecular Weight234.59 g/mol
Exact Mass233.99
IUPAC Nameheptane-2,4-dione;palladium(2+)
SMILESCCCC(=O)CC(C)=O.[Pd+2]
InChIInChI=1S/C7H12O2.Pd/c1-3-4-7(9)5-6(2)8;/h3-5H2,1-2H3;/q;+2
InChIKeyKEGUPQXAXABABP-UHFFFAOYSA-N
XLogP1.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.59
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze heptane-2,4-dione;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

2-Heptanone
CID 8051
2,3-Heptanedione
CID 60983
2,4-Hexanedione
CID 76355
2,6-Heptanedione
CID 100532
4,6-Nonanedione
CID 26454
3,5-Heptanedione
CID 81923
2,4-Heptanedione
CID 23732
3,4-Heptanedione
CID 83671
2,4-Octanedione
CID 84192
2,5-Heptanedione
CID 15559
2,4,6-Heptanetrione
CID 12285
3,5-Octanedione
CID 80602

Frequently Asked Questions

What is the IUPAC name of heptane-2,4-dione;palladium(2+)?
The IUPAC name of heptane-2,4-dione;palladium(2+) (CID 21417766) is heptane-2,4-dione;palladium(2+).
What is the SMILES notation for heptane-2,4-dione;palladium(2+)?
The canonical SMILES for heptane-2,4-dione;palladium(2+) is CCCC(=O)CC(C)=O.[Pd+2].
What is the InChIKey of heptane-2,4-dione;palladium(2+)?
The InChIKey is KEGUPQXAXABABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.Pd/c1-3-4-7(9)5-6(2)8;/h3-5H2,1-2H3;/q;+2.
What are the key properties of heptane-2,4-dione;palladium(2+)?
heptane-2,4-dione;palladium(2+) has a molecular weight of 234.59 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-2,4-dione;palladium(2+) is sourced from PubChem (CID 21417766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).