methylperoxyoxidanium

CH5O3+ — CID 59887556

IUPACmethylperoxyoxidanium
SMILESCOO[OH2+]
InChIInChI=1S/CH4O3/c1-3-4-2/h2H,1H3/p+1
InChIKeyPNVUZMNHWBDJQY-UHFFFAOYSA-O
MW65.05 g/mol
LogP-0.80
Rot. Bonds1

About methylperoxyoxidanium

methylperoxyoxidanium (PubChem CID 59887556) has the molecular formula CH5O3+ and a molecular weight of 65.05 g/mol. Its IUPAC name is methylperoxyoxidanium.

Molecular Properties

Compound Namemethylperoxyoxidanium
PubChem CID59887556
Molecular FormulaCH5O3+
Molecular Weight65.05 g/mol
Exact Mass65.02
IUPAC Namemethylperoxyoxidanium
SMILESCOO[OH2+]
InChIInChI=1S/CH4O3/c1-3-4-2/h2H,1H3/p+1
InChIKeyPNVUZMNHWBDJQY-UHFFFAOYSA-O
XLogP-0.80
TPSA41.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50065.05
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', '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 methylperoxyoxidanium?
The IUPAC name of methylperoxyoxidanium (CID 59887556) is methylperoxyoxidanium.
What is the SMILES notation for methylperoxyoxidanium?
The canonical SMILES for methylperoxyoxidanium is COO[OH2+].
What is the InChIKey of methylperoxyoxidanium?
The InChIKey is PNVUZMNHWBDJQY-UHFFFAOYSA-O. The full InChI is InChI=1S/CH4O3/c1-3-4-2/h2H,1H3/p+1.
What are the key properties of methylperoxyoxidanium?
methylperoxyoxidanium has a molecular weight of 65.05 g/mol, XLogP of -0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxyoxidanium is sourced from PubChem (CID 59887556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).