methoxyperoxyperoxymethane

C2H6O5 — CID 18439197

IUPACmethoxyperoxyperoxymethane
SMILESCOOOOOC
InChIInChI=1S/C2H6O5/c1-3-5-7-6-4-2/h1-2H3
InChIKeyJNSJALYVBJQZCL-UHFFFAOYSA-N
MW110.06 g/mol
LogP-0.01
Rot. Bonds4

About methoxyperoxyperoxymethane

methoxyperoxyperoxymethane (PubChem CID 18439197) has the molecular formula C2H6O5 and a molecular weight of 110.06 g/mol. Its IUPAC name is methoxyperoxyperoxymethane.

Molecular Properties

Compound Namemethoxyperoxyperoxymethane
PubChem CID18439197
Molecular FormulaC2H6O5
Molecular Weight110.06 g/mol
Exact Mass110.02
IUPAC Namemethoxyperoxyperoxymethane
SMILESCOOOOOC
InChIInChI=1S/C2H6O5/c1-3-5-7-6-4-2/h1-2H3
InChIKeyJNSJALYVBJQZCL-UHFFFAOYSA-N
XLogP-0.01
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.06
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methoxyperoxyperoxymethane?
The IUPAC name of methoxyperoxyperoxymethane (CID 18439197) is methoxyperoxyperoxymethane.
What is the SMILES notation for methoxyperoxyperoxymethane?
The canonical SMILES for methoxyperoxyperoxymethane is COOOOOC.
What is the InChIKey of methoxyperoxyperoxymethane?
The InChIKey is JNSJALYVBJQZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O5/c1-3-5-7-6-4-2/h1-2H3.
What are the key properties of methoxyperoxyperoxymethane?
methoxyperoxyperoxymethane has a molecular weight of 110.06 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyperoxyperoxymethane is sourced from PubChem (CID 18439197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).