trioxidanylperoxymethane

CH4O5 — CID 59467865

IUPACtrioxidanylperoxymethane
SMILESCOOOOO
InChIInChI=1S/CH4O5/c1-3-5-6-4-2/h2H,1H3
InChIKeyOCJUKGOGIGVWBY-UHFFFAOYSA-N
MW96.04 g/mol
LogP-0.10
Rot. Bonds3

About trioxidanylperoxymethane

trioxidanylperoxymethane (PubChem CID 59467865) has the molecular formula CH4O5 and a molecular weight of 96.04 g/mol. Its IUPAC name is trioxidanylperoxymethane.

Molecular Properties

Compound Nametrioxidanylperoxymethane
PubChem CID59467865
Molecular FormulaCH4O5
Molecular Weight96.04 g/mol
Exact Mass96.01
IUPAC Nametrioxidanylperoxymethane
SMILESCOOOOO
InChIInChI=1S/CH4O5/c1-3-5-6-4-2/h2H,1H3
InChIKeyOCJUKGOGIGVWBY-UHFFFAOYSA-N
XLogP-0.10
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.04
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
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 trioxidanylperoxymethane?
The IUPAC name of trioxidanylperoxymethane (CID 59467865) is trioxidanylperoxymethane.
What is the SMILES notation for trioxidanylperoxymethane?
The canonical SMILES for trioxidanylperoxymethane is COOOOO.
What is the InChIKey of trioxidanylperoxymethane?
The InChIKey is OCJUKGOGIGVWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O5/c1-3-5-6-4-2/h2H,1H3.
What are the key properties of trioxidanylperoxymethane?
trioxidanylperoxymethane has a molecular weight of 96.04 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trioxidanylperoxymethane is sourced from PubChem (CID 59467865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).