hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one

C6H8O6 — CID 86573793

IUPAChydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)occ1O.OO
InChIInChI=1S/C6H6O4.H2O2/c7-2-4-1-5(8)6(9)3-10-4;1-2/h1,3,7,9H,2H2;1-2H
InChIKeyLDNMETDJOMDFGN-UHFFFAOYSA-N
MW176.12 g/mol
LogP-0.14
Rot. Bonds1

About hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one

hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one (PubChem CID 86573793) has the molecular formula C6H8O6 and a molecular weight of 176.12 g/mol. Its IUPAC name is hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Namehydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one
PubChem CID86573793
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Namehydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)occ1O.OO
InChIInChI=1S/C6H6O4.H2O2/c7-2-4-1-5(8)6(9)3-10-4;1-2/h1,3,7,9H,2H2;1-2H
InChIKeyLDNMETDJOMDFGN-UHFFFAOYSA-N
XLogP-0.14
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one?
The IUPAC name of hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one (CID 86573793) is hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one.
What is the SMILES notation for hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one?
The canonical SMILES for hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one is O=c1cc(CO)occ1O.OO.
What is the InChIKey of hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one?
The InChIKey is LDNMETDJOMDFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4.H2O2/c7-2-4-1-5(8)6(9)3-10-4;1-2/h1,3,7,9H,2H2;1-2H.
What are the key properties of hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one?
hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one has a molecular weight of 176.12 g/mol, XLogP of -0.14, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;5-hydroxy-2-(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 86573793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).