potassium;tetrasodium;ethaneperoxoate;oxido carbonate

C7H9KNa4O13 — CID 173182739

IUPACpotassium;tetrasodium;ethaneperoxoate;oxido carbonate
SMILESCC(=O)O[O-].CC(=O)O[O-].CC(=O)O[O-].O=C([O-])O[O-].[K+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/3C2H4O3.CH2O4.K.4Na/c3*1-2(3)5-4;2-1(3)5-4;;;;;/h3*4H,1H3;4H,(H,2,3);;;;;/q;;;;5*+1/p-5
InChIKeyFZSXIZLWVAJUJN-UHFFFAOYSA-I
MW432.19 g/mol
LogP-20.88
Rot. Bonds

About potassium;tetrasodium;ethaneperoxoate;oxido carbonate

potassium;tetrasodium;ethaneperoxoate;oxido carbonate (PubChem CID 173182739) has the molecular formula C7H9KNa4O13 and a molecular weight of 432.19 g/mol. Its IUPAC name is potassium;tetrasodium;ethaneperoxoate;oxido carbonate.

Molecular Properties

Compound Namepotassium;tetrasodium;ethaneperoxoate;oxido carbonate
PubChem CID173182739
Molecular FormulaC7H9KNa4O13
Molecular Weight432.19 g/mol
Exact Mass431.93
IUPAC Namepotassium;tetrasodium;ethaneperoxoate;oxido carbonate
SMILESCC(=O)O[O-].CC(=O)O[O-].CC(=O)O[O-].O=C([O-])O[O-].[K+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/3C2H4O3.CH2O4.K.4Na/c3*1-2(3)5-4;2-1(3)5-4;;;;;/h3*4H,1H3;4H,(H,2,3);;;;;/q;;;;5*+1/p-5
InChIKeyFZSXIZLWVAJUJN-UHFFFAOYSA-I
XLogP-20.88
TPSA220.50 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.19
LogP ≤ 5-20.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

diazanium;oxido carbonate
CID 22665386
potassium;sodium;diacetate
CID 21470705
dioxouranium(2+);oxido carbonate
CID 173079564
sodium;ethaneperoxoic acid;acetate
CID 87103299
nonasodium;nonaacetate
CID 173443222
potassium;iodo acetate;acetate
CID 139746674
sodium;hydron;triacetate
CID 173121634
sodium;acetate;trihydrofluoride
CID 172761892
sodium;acetate;trihydrate
CID 23665404
trisodium;acetate;carbonate
CID 169079974
sodium;alumane;acetate
CID 173418045
potassium;methanol;acetate
CID 87290228

Frequently Asked Questions

What is the IUPAC name of potassium;tetrasodium;ethaneperoxoate;oxido carbonate?
The IUPAC name of potassium;tetrasodium;ethaneperoxoate;oxido carbonate (CID 173182739) is potassium;tetrasodium;ethaneperoxoate;oxido carbonate.
What is the SMILES notation for potassium;tetrasodium;ethaneperoxoate;oxido carbonate?
The canonical SMILES for potassium;tetrasodium;ethaneperoxoate;oxido carbonate is CC(=O)O[O-].CC(=O)O[O-].CC(=O)O[O-].O=C([O-])O[O-].[K+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of potassium;tetrasodium;ethaneperoxoate;oxido carbonate?
The InChIKey is FZSXIZLWVAJUJN-UHFFFAOYSA-I. The full InChI is InChI=1S/3C2H4O3.CH2O4.K.4Na/c3*1-2(3)5-4;2-1(3)5-4;;;;;/h3*4H,1H3;4H,(H,2,3);;;;;/q;;;;5*+1/p-5.
What are the key properties of potassium;tetrasodium;ethaneperoxoate;oxido carbonate?
potassium;tetrasodium;ethaneperoxoate;oxido carbonate has a molecular weight of 432.19 g/mol, XLogP of -20.88, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tetrasodium;ethaneperoxoate;oxido carbonate is sourced from PubChem (CID 173182739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).