trioxidanylperoxy formate

CH2O7 — CID 59425519

IUPACtrioxidanylperoxy formate
SMILESO=COOOOOO
InChIInChI=1S/CH2O7/c2-1-4-6-8-7-5-3/h1,3H
InChIKeyFCYAHLOWPUEVGZ-UHFFFAOYSA-N
MW126.02 g/mol
LogP-0.64
Rot. Bonds5

About trioxidanylperoxy formate

trioxidanylperoxy formate (PubChem CID 59425519) has the molecular formula CH2O7 and a molecular weight of 126.02 g/mol. Its IUPAC name is trioxidanylperoxy formate.

Molecular Properties

Compound Nametrioxidanylperoxy formate
PubChem CID59425519
Molecular FormulaCH2O7
Molecular Weight126.02 g/mol
Exact Mass125.98
IUPAC Nametrioxidanylperoxy formate
SMILESO=COOOOOO
InChIInChI=1S/CH2O7/c2-1-4-6-8-7-5-3/h1,3H
InChIKeyFCYAHLOWPUEVGZ-UHFFFAOYSA-N
XLogP-0.64
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.02
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze trioxidanylperoxy formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trioxidanylperoxy formate?
The IUPAC name of trioxidanylperoxy formate (CID 59425519) is trioxidanylperoxy formate.
What is the SMILES notation for trioxidanylperoxy formate?
The canonical SMILES for trioxidanylperoxy formate is O=COOOOOO.
What is the InChIKey of trioxidanylperoxy formate?
The InChIKey is FCYAHLOWPUEVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O7/c2-1-4-6-8-7-5-3/h1,3H.
What are the key properties of trioxidanylperoxy formate?
trioxidanylperoxy formate has a molecular weight of 126.02 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trioxidanylperoxy formate is sourced from PubChem (CID 59425519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).