methylperoxyperoxymethane

C2H6O4 — CID 22227462

IUPACmethylperoxyperoxymethane
SMILESCOOOOC
InChIInChI=1S/C2H6O4/c1-3-5-6-4-2/h1-2H3
InChIKeyRJYJPRXPYLGEIZ-UHFFFAOYSA-N
MW94.07 g/mol
LogP0.06
Rot. Bonds3

About methylperoxyperoxymethane

methylperoxyperoxymethane (PubChem CID 22227462) has the molecular formula C2H6O4 and a molecular weight of 94.07 g/mol. Its IUPAC name is methylperoxyperoxymethane.

Molecular Properties

Compound Namemethylperoxyperoxymethane
PubChem CID22227462
Molecular FormulaC2H6O4
Molecular Weight94.07 g/mol
Exact Mass94.03
IUPAC Namemethylperoxyperoxymethane
SMILESCOOOOC
InChIInChI=1S/C2H6O4/c1-3-5-6-4-2/h1-2H3
InChIKeyRJYJPRXPYLGEIZ-UHFFFAOYSA-N
XLogP0.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.07
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 methylperoxyperoxymethane?
The IUPAC name of methylperoxyperoxymethane (CID 22227462) is methylperoxyperoxymethane.
What is the SMILES notation for methylperoxyperoxymethane?
The canonical SMILES for methylperoxyperoxymethane is COOOOC.
What is the InChIKey of methylperoxyperoxymethane?
The InChIKey is RJYJPRXPYLGEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4/c1-3-5-6-4-2/h1-2H3.
What are the key properties of methylperoxyperoxymethane?
methylperoxyperoxymethane has a molecular weight of 94.07 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxyperoxymethane is sourced from PubChem (CID 22227462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).