3,3-diacetylhexane-2,5-dione;palladium(2+)

C10H14O4Pd+2 — CID 21417779

IUPAC3,3-diacetylhexane-2,5-dione;palladium(2+)
SMILESCC(=O)CC(C(C)=O)(C(C)=O)C(C)=O.[Pd+2]
InChIInChI=1S/C10H14O4.Pd/c1-6(11)5-10(7(2)12,8(3)13)9(4)14;/h5H2,1-4H3;/q;+2
InChIKeyYVTLGLIKCRAXOM-UHFFFAOYSA-N
MW304.64 g/mol
LogP0.72
Rot. Bonds5

About 3,3-diacetylhexane-2,5-dione;palladium(2+)

3,3-diacetylhexane-2,5-dione;palladium(2+) (PubChem CID 21417779) has the molecular formula C10H14O4Pd+2 and a molecular weight of 304.64 g/mol. Its IUPAC name is 3,3-diacetylhexane-2,5-dione;palladium(2+).

Molecular Properties

Compound Name3,3-diacetylhexane-2,5-dione;palladium(2+)
PubChem CID21417779
Molecular FormulaC10H14O4Pd+2
Molecular Weight304.64 g/mol
Exact Mass303.99
IUPAC Name3,3-diacetylhexane-2,5-dione;palladium(2+)
SMILESCC(=O)CC(C(C)=O)(C(C)=O)C(C)=O.[Pd+2]
InChIInChI=1S/C10H14O4.Pd/c1-6(11)5-10(7(2)12,8(3)13)9(4)14;/h5H2,1-4H3;/q;+2
InChIKeyYVTLGLIKCRAXOM-UHFFFAOYSA-N
XLogP0.72
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.64
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4-bis(2-oxopropyl)heptane-2,6-dione
CID 118031605
3-acetyl-3-methylhexane-2,5-dione
CID 12571378
4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
4-hydroxy-4-methylpentan-2-one
CID 87257073
CID 159178711
CID 159178711
2-methyl-4-oxopentan-2-olate
CID 101443169
3,3,5,5-tetramethyloctane-2,7-dione
CID 88565088
4-amino-4-methylpentan-2-one;ethane
CID 142087513
sodium;4-hydroxy-4-methylpentan-2-one;chloride
CID 174855512
CID 15855332
CID 15855332
3-hydroxy-3-propylhexane-2,5-dione
CID 57020206
3,3-diacetyl-4-oxopentanoic acid;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 160911140

Frequently Asked Questions

What is the IUPAC name of 3,3-diacetylhexane-2,5-dione;palladium(2+)?
The IUPAC name of 3,3-diacetylhexane-2,5-dione;palladium(2+) (CID 21417779) is 3,3-diacetylhexane-2,5-dione;palladium(2+).
What is the SMILES notation for 3,3-diacetylhexane-2,5-dione;palladium(2+)?
The canonical SMILES for 3,3-diacetylhexane-2,5-dione;palladium(2+) is CC(=O)CC(C(C)=O)(C(C)=O)C(C)=O.[Pd+2].
What is the InChIKey of 3,3-diacetylhexane-2,5-dione;palladium(2+)?
The InChIKey is YVTLGLIKCRAXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.Pd/c1-6(11)5-10(7(2)12,8(3)13)9(4)14;/h5H2,1-4H3;/q;+2.
What are the key properties of 3,3-diacetylhexane-2,5-dione;palladium(2+)?
3,3-diacetylhexane-2,5-dione;palladium(2+) has a molecular weight of 304.64 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diacetylhexane-2,5-dione;palladium(2+) is sourced from PubChem (CID 21417779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).