acetyl 2-oxopropanoate;platinum(2+)

C5H6O4Pt+2 — CID 159497532

IUPACacetyl 2-oxopropanoate;platinum(2+)
SMILESCC(=O)OC(=O)C(C)=O.[Pt+2]
InChIInChI=1S/C5H6O4.Pt/c1-3(6)5(8)9-4(2)7;/h1-2H3;/q;+2
InChIKeyLYYXTSUGJRCXSF-UHFFFAOYSA-N
MW325.18 g/mol
LogP-0.34
Rot. Bonds1

About acetyl 2-oxopropanoate;platinum(2+)

acetyl 2-oxopropanoate;platinum(2+) (PubChem CID 159497532) has the molecular formula C5H6O4Pt+2 and a molecular weight of 325.18 g/mol. Its IUPAC name is acetyl 2-oxopropanoate;platinum(2+).

Molecular Properties

Compound Nameacetyl 2-oxopropanoate;platinum(2+)
PubChem CID159497532
Molecular FormulaC5H6O4Pt+2
Molecular Weight325.18 g/mol
Exact Mass324.99
IUPAC Nameacetyl 2-oxopropanoate;platinum(2+)
SMILESCC(=O)OC(=O)C(C)=O.[Pt+2]
InChIInChI=1S/C5H6O4.Pt/c1-3(6)5(8)9-4(2)7;/h1-2H3;/q;+2
InChIKeyLYYXTSUGJRCXSF-UHFFFAOYSA-N
XLogP-0.34
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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acetyl 2-oxopropanoate;chromium
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calcium;acetyl 2-oxopropanoate;alumane;hydride
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acetyl 2-oxopropanoate;trichloroalumane
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acetyl 2,3,4,5,6-pentaoxoheptanoate
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alumane;diacetyl oxalate
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acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
CID 160689228
CID 160689228
acetyl 3-methyl-2-oxobutanoate
CID 154209478
acetyl acetate;carbanide;gold
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dicalcium;acetyl acetate;hydride
CID 174404063

Frequently Asked Questions

What is the IUPAC name of acetyl 2-oxopropanoate;platinum(2+)?
The IUPAC name of acetyl 2-oxopropanoate;platinum(2+) (CID 159497532) is acetyl 2-oxopropanoate;platinum(2+).
What is the SMILES notation for acetyl 2-oxopropanoate;platinum(2+)?
The canonical SMILES for acetyl 2-oxopropanoate;platinum(2+) is CC(=O)OC(=O)C(C)=O.[Pt+2].
What is the InChIKey of acetyl 2-oxopropanoate;platinum(2+)?
The InChIKey is LYYXTSUGJRCXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.Pt/c1-3(6)5(8)9-4(2)7;/h1-2H3;/q;+2.
What are the key properties of acetyl 2-oxopropanoate;platinum(2+)?
acetyl 2-oxopropanoate;platinum(2+) has a molecular weight of 325.18 g/mol, XLogP of -0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-oxopropanoate;platinum(2+) is sourced from PubChem (CID 159497532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).