hydroperoxymethane

CH4O2 — CID 18199

IUPAChydroperoxymethane
SMILESCOO
InChIInChI=1S/CH4O2/c1-3-2/h2H,1H3
InChIKeyMEUKEBNAABNAEX-UHFFFAOYSA-N
MW48.04 g/mol
LogP0.11
Rot. Bonds

About hydroperoxymethane

hydroperoxymethane (PubChem CID 18199) has the molecular formula CH4O2 and a molecular weight of 48.04 g/mol. Its IUPAC name is hydroperoxymethane.

Molecular Properties

Compound Namehydroperoxymethane
PubChem CID18199
Molecular FormulaCH4O2
Molecular Weight48.04 g/mol
Exact Mass48.02
IUPAC Namehydroperoxymethane
SMILESCOO
InChIInChI=1S/CH4O2/c1-3-2/h2H,1H3
InChIKeyMEUKEBNAABNAEX-UHFFFAOYSA-N
XLogP0.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50048.04
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 hydroperoxymethane?
The IUPAC name of hydroperoxymethane (CID 18199) is hydroperoxymethane.
What is the SMILES notation for hydroperoxymethane?
The canonical SMILES for hydroperoxymethane is COO.
What is the InChIKey of hydroperoxymethane?
The InChIKey is MEUKEBNAABNAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O2/c1-3-2/h2H,1H3.
What are the key properties of hydroperoxymethane?
hydroperoxymethane has a molecular weight of 48.04 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxymethane is sourced from PubChem (CID 18199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).