bis(heptane-2,4-dione);platinum

C14H24O4Pt — CID 158167242

IUPACbis(heptane-2,4-dione);platinum
SMILESCCCC(=O)CC(C)=O.CCCC(=O)CC(C)=O.[Pt]
InChIInChI=1S/2C7H12O2.Pt/c2*1-3-4-7(9)5-6(2)8;/h2*3-5H2,1-2H3;
InChIKeyFWZODKRESLCDPZ-UHFFFAOYSA-N
MW451.42 g/mol
LogP2.67
Rot. Bonds8

About bis(heptane-2,4-dione);platinum

bis(heptane-2,4-dione);platinum (PubChem CID 158167242) has the molecular formula C14H24O4Pt and a molecular weight of 451.42 g/mol. Its IUPAC name is bis(heptane-2,4-dione);platinum.

Molecular Properties

Compound Namebis(heptane-2,4-dione);platinum
PubChem CID158167242
Molecular FormulaC14H24O4Pt
Molecular Weight451.42 g/mol
Exact Mass451.13
IUPAC Namebis(heptane-2,4-dione);platinum
SMILESCCCC(=O)CC(C)=O.CCCC(=O)CC(C)=O.[Pt]
InChIInChI=1S/2C7H12O2.Pt/c2*1-3-4-7(9)5-6(2)8;/h2*3-5H2,1-2H3;
InChIKeyFWZODKRESLCDPZ-UHFFFAOYSA-N
XLogP2.67
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 52.67
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

heptane-2,4-dione;palladium(2+)
CID 21417766
cobalt(2+);octane-2,4-dione
CID 22152476
pentadecane-2,4-dione
CID 529775
hexane-2,4-dione;platinum
CID 161447923
undec-7-ene-2,4-dione
CID 175206298
bis(3-oxohexanoic acid);silane
CID 175228530
undecane-2,4,6,8,10-pentone
CID 174158301
6-methylnon-6-en-4-one
CID 71397409
2-iminoheptan-4-one
CID 54339625
2,4-dioxoheptanoic acid
CID 23169167
tris(3-oxohexanoate);ruthenium(3+)
CID 159943529
bis(3-oxohexanoate);bis(zirconium(4+))
CID 158362077

Frequently Asked Questions

What is the IUPAC name of bis(heptane-2,4-dione);platinum?
The IUPAC name of bis(heptane-2,4-dione);platinum (CID 158167242) is bis(heptane-2,4-dione);platinum.
What is the SMILES notation for bis(heptane-2,4-dione);platinum?
The canonical SMILES for bis(heptane-2,4-dione);platinum is CCCC(=O)CC(C)=O.CCCC(=O)CC(C)=O.[Pt].
What is the InChIKey of bis(heptane-2,4-dione);platinum?
The InChIKey is FWZODKRESLCDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12O2.Pt/c2*1-3-4-7(9)5-6(2)8;/h2*3-5H2,1-2H3;.
What are the key properties of bis(heptane-2,4-dione);platinum?
bis(heptane-2,4-dione);platinum has a molecular weight of 451.42 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(heptane-2,4-dione);platinum is sourced from PubChem (CID 158167242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).