methylperoxy nitrite

CH3NO4 — CID 91511443

IUPACmethylperoxy nitrite
SMILESCOOON=O
InChIInChI=1S/CH3NO4/c1-4-6-5-2-3/h1H3
InChIKeyJMLOYTKCYQSTLL-UHFFFAOYSA-N
MW93.04 g/mol
LogP0.18
Rot. Bonds3

About methylperoxy nitrite

methylperoxy nitrite (PubChem CID 91511443) has the molecular formula CH3NO4 and a molecular weight of 93.04 g/mol. Its IUPAC name is methylperoxy nitrite.

Molecular Properties

Compound Namemethylperoxy nitrite
PubChem CID91511443
Molecular FormulaCH3NO4
Molecular Weight93.04 g/mol
Exact Mass93.01
IUPAC Namemethylperoxy nitrite
SMILESCOOON=O
InChIInChI=1S/CH3NO4/c1-4-6-5-2-3/h1H3
InChIKeyJMLOYTKCYQSTLL-UHFFFAOYSA-N
XLogP0.18
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.04
LogP ≤ 50.18
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 methylperoxy nitrite?
The IUPAC name of methylperoxy nitrite (CID 91511443) is methylperoxy nitrite.
What is the SMILES notation for methylperoxy nitrite?
The canonical SMILES for methylperoxy nitrite is COOON=O.
What is the InChIKey of methylperoxy nitrite?
The InChIKey is JMLOYTKCYQSTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO4/c1-4-6-5-2-3/h1H3.
What are the key properties of methylperoxy nitrite?
methylperoxy nitrite has a molecular weight of 93.04 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxy nitrite is sourced from PubChem (CID 91511443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).