bis(2-ethyl-3-oxobutanoate);platinum(2+)

C12H18O6Pt — CID 87075399

IUPACbis(2-ethyl-3-oxobutanoate);platinum(2+)
SMILESCCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].[Pt+2]
InChIInChI=1S/2C6H10O3.Pt/c2*1-3-5(4(2)7)6(8)9;/h2*5H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
InChIKeyUFMXSUVHNTVLFY-UHFFFAOYSA-L
MW453.35 g/mol
LogP-1.30
Rot. Bonds6

About bis(2-ethyl-3-oxobutanoate);platinum(2+)

bis(2-ethyl-3-oxobutanoate);platinum(2+) (PubChem CID 87075399) has the molecular formula C12H18O6Pt and a molecular weight of 453.35 g/mol. Its IUPAC name is bis(2-ethyl-3-oxobutanoate);platinum(2+).

Molecular Properties

Compound Namebis(2-ethyl-3-oxobutanoate);platinum(2+)
PubChem CID87075399
Molecular FormulaC12H18O6Pt
Molecular Weight453.35 g/mol
Exact Mass453.08
IUPAC Namebis(2-ethyl-3-oxobutanoate);platinum(2+)
SMILESCCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].[Pt+2]
InChIInChI=1S/2C6H10O3.Pt/c2*1-3-5(4(2)7)6(8)9;/h2*5H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
InChIKeyUFMXSUVHNTVLFY-UHFFFAOYSA-L
XLogP-1.30
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

aluminum;2-ethyl-3-oxobutanoate;dihydroxide
CID 174056917
tris(2-ethyl-3-oxobutanoate);propan-2-ol;zirconium(3+)
CID 172999441
bis(2-ethyl-3-oxobutanoate);bis(propan-2-ol);zirconium(2+)
CID 87072394
bis(2-ethyl-3-oxobutanoate);bis(2-methylpropan-1-ol);zirconium(2+)
CID 87420710
bis(2-ethyl-3-oxobutanoate);propane-1,3-diol;titanium(2+)
CID 87088599
bis(butan-1-olate);bis(2-ethyl-3-oxobutanoate);titanium(4+)
CID 18401978
magnesium 2-ethylpropanedioate
CID 22261989
dialuminum;tris(2-ethylpropanedioate)
CID 157429593
butoxyaluminum(2+);bis(2-ethyl-3-oxobutanoate)
CID 87243142
dialuminum;tris(2-ethyl-3-oxobutanoate);tris(oxido(triphenyl)silane)
CID 19099053
tris(2-ethyl-3-oxopentanoate);iron(3+)
CID 158768715
2-ethylhexoxyaluminum(2+);bis(2-ethyl-3-oxobutanoate)
CID 87420793

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-3-oxobutanoate);platinum(2+)?
The IUPAC name of bis(2-ethyl-3-oxobutanoate);platinum(2+) (CID 87075399) is bis(2-ethyl-3-oxobutanoate);platinum(2+).
What is the SMILES notation for bis(2-ethyl-3-oxobutanoate);platinum(2+)?
The canonical SMILES for bis(2-ethyl-3-oxobutanoate);platinum(2+) is CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].[Pt+2].
What is the InChIKey of bis(2-ethyl-3-oxobutanoate);platinum(2+)?
The InChIKey is UFMXSUVHNTVLFY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H10O3.Pt/c2*1-3-5(4(2)7)6(8)9;/h2*5H,3H2,1-2H3,(H,8,9);/q;;+2/p-2.
What are the key properties of bis(2-ethyl-3-oxobutanoate);platinum(2+)?
bis(2-ethyl-3-oxobutanoate);platinum(2+) has a molecular weight of 453.35 g/mol, XLogP of -1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-3-oxobutanoate);platinum(2+) is sourced from PubChem (CID 87075399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).