methoxyperoxyperoxyperoxymethane

C2H6O7 — CID 22496729

IUPACmethoxyperoxyperoxyperoxymethane
SMILESCOOOOOOOC
InChIInChI=1S/C2H6O7/c1-3-5-7-9-8-6-4-2/h1-2H3
InChIKeyFVRSFMXZBWRNFQ-UHFFFAOYSA-N
MW142.06 g/mol
LogP-0.15
Rot. Bonds6

About methoxyperoxyperoxyperoxymethane

methoxyperoxyperoxyperoxymethane (PubChem CID 22496729) has the molecular formula C2H6O7 and a molecular weight of 142.06 g/mol. Its IUPAC name is methoxyperoxyperoxyperoxymethane.

Molecular Properties

Compound Namemethoxyperoxyperoxyperoxymethane
PubChem CID22496729
Molecular FormulaC2H6O7
Molecular Weight142.06 g/mol
Exact Mass142.01
IUPAC Namemethoxyperoxyperoxyperoxymethane
SMILESCOOOOOOOC
InChIInChI=1S/C2H6O7/c1-3-5-7-9-8-6-4-2/h1-2H3
InChIKeyFVRSFMXZBWRNFQ-UHFFFAOYSA-N
XLogP-0.15
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.06
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 methoxyperoxyperoxyperoxymethane?
The IUPAC name of methoxyperoxyperoxyperoxymethane (CID 22496729) is methoxyperoxyperoxyperoxymethane.
What is the SMILES notation for methoxyperoxyperoxyperoxymethane?
The canonical SMILES for methoxyperoxyperoxyperoxymethane is COOOOOOOC.
What is the InChIKey of methoxyperoxyperoxyperoxymethane?
The InChIKey is FVRSFMXZBWRNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O7/c1-3-5-7-9-8-6-4-2/h1-2H3.
What are the key properties of methoxyperoxyperoxyperoxymethane?
methoxyperoxyperoxyperoxymethane has a molecular weight of 142.06 g/mol, XLogP of -0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyperoxyperoxyperoxymethane is sourced from PubChem (CID 22496729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).