ethanol;2-hydroxy-2-oxoethaneperoxoate

C4H7O6- — CID 54675793

IUPACethanol;2-hydroxy-2-oxoethaneperoxoate
SMILESCCO.O=C(O)C(=O)O[O-]
InChIInChI=1S/C2H2O5.C2H6O/c3-1(4)2(5)7-6;1-2-3/h6H,(H,3,4);3H,2H2,1H3/p-1
InChIKeyIEPDEYVIULLKQK-UHFFFAOYSA-M
MW151.09 g/mol
LogP-2.11
Rot. Bonds

About ethanol;2-hydroxy-2-oxoethaneperoxoate

ethanol;2-hydroxy-2-oxoethaneperoxoate (PubChem CID 54675793) has the molecular formula C4H7O6- and a molecular weight of 151.09 g/mol. Its IUPAC name is ethanol;2-hydroxy-2-oxoethaneperoxoate.

Molecular Properties

Compound Nameethanol;2-hydroxy-2-oxoethaneperoxoate
PubChem CID54675793
Molecular FormulaC4H7O6-
Molecular Weight151.09 g/mol
Exact Mass151.02
IUPAC Nameethanol;2-hydroxy-2-oxoethaneperoxoate
SMILESCCO.O=C(O)C(=O)O[O-]
InChIInChI=1S/C2H2O5.C2H6O/c3-1(4)2(5)7-6;1-2-3/h6H,(H,3,4);3H,2H2,1H3/p-1
InChIKeyIEPDEYVIULLKQK-UHFFFAOYSA-M
XLogP-2.11
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 5-2.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 159993357
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CID 171460044
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ethanol;methanol;ruthenium
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Frequently Asked Questions

What is the IUPAC name of ethanol;2-hydroxy-2-oxoethaneperoxoate?
The IUPAC name of ethanol;2-hydroxy-2-oxoethaneperoxoate (CID 54675793) is ethanol;2-hydroxy-2-oxoethaneperoxoate.
What is the SMILES notation for ethanol;2-hydroxy-2-oxoethaneperoxoate?
The canonical SMILES for ethanol;2-hydroxy-2-oxoethaneperoxoate is CCO.O=C(O)C(=O)O[O-].
What is the InChIKey of ethanol;2-hydroxy-2-oxoethaneperoxoate?
The InChIKey is IEPDEYVIULLKQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2O5.C2H6O/c3-1(4)2(5)7-6;1-2-3/h6H,(H,3,4);3H,2H2,1H3/p-1.
What are the key properties of ethanol;2-hydroxy-2-oxoethaneperoxoate?
ethanol;2-hydroxy-2-oxoethaneperoxoate has a molecular weight of 151.09 g/mol, XLogP of -2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-hydroxy-2-oxoethaneperoxoate is sourced from PubChem (CID 54675793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).