hydroperoxyperoxymethane

CH4O4 — CID 18335891

IUPAChydroperoxyperoxymethane
SMILESCOOOO
InChIInChI=1S/CH4O4/c1-3-5-4-2/h2H,1H3
InChIKeyREFRTNYYQCHQOC-UHFFFAOYSA-N
MW80.04 g/mol
LogP-0.03
Rot. Bonds2

About hydroperoxyperoxymethane

hydroperoxyperoxymethane (PubChem CID 18335891) has the molecular formula CH4O4 and a molecular weight of 80.04 g/mol. Its IUPAC name is hydroperoxyperoxymethane.

Molecular Properties

Compound Namehydroperoxyperoxymethane
PubChem CID18335891
Molecular FormulaCH4O4
Molecular Weight80.04 g/mol
Exact Mass80.01
IUPAC Namehydroperoxyperoxymethane
SMILESCOOOO
InChIInChI=1S/CH4O4/c1-3-5-4-2/h2H,1H3
InChIKeyREFRTNYYQCHQOC-UHFFFAOYSA-N
XLogP-0.03
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.04
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 hydroperoxyperoxymethane?
The IUPAC name of hydroperoxyperoxymethane (CID 18335891) is hydroperoxyperoxymethane.
What is the SMILES notation for hydroperoxyperoxymethane?
The canonical SMILES for hydroperoxyperoxymethane is COOOO.
What is the InChIKey of hydroperoxyperoxymethane?
The InChIKey is REFRTNYYQCHQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O4/c1-3-5-4-2/h2H,1H3.
What are the key properties of hydroperoxyperoxymethane?
hydroperoxyperoxymethane has a molecular weight of 80.04 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyperoxymethane is sourced from PubChem (CID 18335891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).