methylperoxymethane;propane

C5H14O2 — CID 91124219

IUPACmethylperoxymethane;propane
SMILESCCC.COOC
InChIInChI=1S/C3H8.C2H6O2/c1-3-2;1-3-4-2/h3H2,1-2H3;1-2H3
InChIKeyDNGGNKOLSGNOHH-UHFFFAOYSA-N
MW106.16 g/mol
LogP1.61
Rot. Bonds1

About methylperoxymethane;propane

methylperoxymethane;propane (PubChem CID 91124219) has the molecular formula C5H14O2 and a molecular weight of 106.16 g/mol. Its IUPAC name is methylperoxymethane;propane.

Molecular Properties

Compound Namemethylperoxymethane;propane
PubChem CID91124219
Molecular FormulaC5H14O2
Molecular Weight106.16 g/mol
Exact Mass106.10
IUPAC Namemethylperoxymethane;propane
SMILESCCC.COOC
InChIInChI=1S/C3H8.C2H6O2/c1-3-2;1-3-4-2/h3H2,1-2H3;1-2H3
InChIKeyDNGGNKOLSGNOHH-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.16
LogP ≤ 51.61
H-Bond Donors ≤ 50
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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Related Compounds

Propyl peroxide
CID 536115
Propoxyether
CID 20367756
1-Ethoxyperoxypropane
CID 20367757
Dimethoxy(propyl)gallane
CID 21553656
1-Methylperoxypropane
CID 22959854
1-Ethylperoxypropane
CID 23289207
CID 87188807
CID 87188807
Butyl-methoxy-oxotin
CID 87371916
CID 88426126
CID 88426126
Methoxymethane;molecular oxygen;propane
CID 91339610
1-Methoxyperoxypropane
CID 123742692
Oxygen butane
CID 131720182

Frequently Asked Questions

What is the IUPAC name of methylperoxymethane;propane?
The IUPAC name of methylperoxymethane;propane (CID 91124219) is methylperoxymethane;propane.
What is the SMILES notation for methylperoxymethane;propane?
The canonical SMILES for methylperoxymethane;propane is CCC.COOC.
What is the InChIKey of methylperoxymethane;propane?
The InChIKey is DNGGNKOLSGNOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H6O2/c1-3-2;1-3-4-2/h3H2,1-2H3;1-2H3.
What are the key properties of methylperoxymethane;propane?
methylperoxymethane;propane has a molecular weight of 106.16 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxymethane;propane is sourced from PubChem (CID 91124219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).