methylperoxyperoxyperoxyperoxymethane

C2H6O8 — CID 22496782

IUPACmethylperoxyperoxyperoxyperoxymethane
SMILESCOOOOOOOOC
InChIInChI=1S/C2H6O8/c1-3-5-7-9-10-8-6-4-2/h1-2H3
InChIKeyVGIJEIUNDQCQGQ-UHFFFAOYSA-N
MW158.06 g/mol
LogP-0.22
Rot. Bonds7

About methylperoxyperoxyperoxyperoxymethane

methylperoxyperoxyperoxyperoxymethane (PubChem CID 22496782) has the molecular formula C2H6O8 and a molecular weight of 158.06 g/mol. Its IUPAC name is methylperoxyperoxyperoxyperoxymethane.

Molecular Properties

Compound Namemethylperoxyperoxyperoxyperoxymethane
PubChem CID22496782
Molecular FormulaC2H6O8
Molecular Weight158.06 g/mol
Exact Mass158.01
IUPAC Namemethylperoxyperoxyperoxyperoxymethane
SMILESCOOOOOOOOC
InChIInChI=1S/C2H6O8/c1-3-5-7-9-10-8-6-4-2/h1-2H3
InChIKeyVGIJEIUNDQCQGQ-UHFFFAOYSA-N
XLogP-0.22
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.06
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 methylperoxyperoxyperoxyperoxymethane?
The IUPAC name of methylperoxyperoxyperoxyperoxymethane (CID 22496782) is methylperoxyperoxyperoxyperoxymethane.
What is the SMILES notation for methylperoxyperoxyperoxyperoxymethane?
The canonical SMILES for methylperoxyperoxyperoxyperoxymethane is COOOOOOOOC.
What is the InChIKey of methylperoxyperoxyperoxyperoxymethane?
The InChIKey is VGIJEIUNDQCQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O8/c1-3-5-7-9-10-8-6-4-2/h1-2H3.
What are the key properties of methylperoxyperoxyperoxyperoxymethane?
methylperoxyperoxyperoxyperoxymethane has a molecular weight of 158.06 g/mol, XLogP of -0.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxyperoxyperoxyperoxymethane is sourced from PubChem (CID 22496782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).