methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane

C5H18O7+2 — CID 91273816

IUPACmethoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane
SMILESCCC.COO[OH2+].CO[OH2+].O=O
InChIInChI=1S/C3H8.CH4O3.CH4O2.O2/c1-3-2;1-3-4-2;1-3-2;1-2/h3H2,1-2H3;2H,1H3;2H,1H3;/p+2
InChIKeyGEMIJHAAKDRRGB-UHFFFAOYSA-P
MW190.19 g/mol
LogP-0.04
Rot. Bonds1

About methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane

methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane (PubChem CID 91273816) has the molecular formula C5H18O7+2 and a molecular weight of 190.19 g/mol. Its IUPAC name is methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane.

Molecular Properties

Compound Namemethoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane
PubChem CID91273816
Molecular FormulaC5H18O7+2
Molecular Weight190.19 g/mol
Exact Mass190.10
IUPAC Namemethoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane
SMILESCCC.COO[OH2+].CO[OH2+].O=O
InChIInChI=1S/C3H8.CH4O3.CH4O2.O2/c1-3-2;1-3-4-2;1-3-2;1-2/h3H2,1-2H3;2H,1H3;2H,1H3;/p+2
InChIKeyGEMIJHAAKDRRGB-UHFFFAOYSA-P
XLogP-0.04
TPSA107.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

Butane;hydroperoxymethane
CID 142008875
Bis(1-hydroperoxypropane);oxotitanium
CID 145826566
Ethane;hydrogen peroxide;methoxymethane;hydrate
CID 158072108
Hydroperoxymethane;propane
CID 173322679

Frequently Asked Questions

What is the IUPAC name of methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane?
The IUPAC name of methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane (CID 91273816) is methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane.
What is the SMILES notation for methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane?
The canonical SMILES for methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane is CCC.COO[OH2+].CO[OH2+].O=O.
What is the InChIKey of methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane?
The InChIKey is GEMIJHAAKDRRGB-UHFFFAOYSA-P. The full InChI is InChI=1S/C3H8.CH4O3.CH4O2.O2/c1-3-2;1-3-4-2;1-3-2;1-2/h3H2,1-2H3;2H,1H3;2H,1H3;/p+2.
What are the key properties of methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane?
methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane has a molecular weight of 190.19 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyoxidanium;methylperoxyoxidanium;molecular oxygen;propane is sourced from PubChem (CID 91273816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).