2-(methylperoxymethyl)oxetane

C5H10O3 — CID 150558486

IUPAC2-(methylperoxymethyl)oxetane
SMILESCOOCC1CCO1
InChIInChI=1S/C5H10O3/c1-6-8-4-5-2-3-7-5/h5H,2-4H2,1H3
InChIKeyIJINBXOSVHBZNM-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.35
Rot. Bonds3

About 2-(methylperoxymethyl)oxetane

2-(methylperoxymethyl)oxetane (PubChem CID 150558486) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2-(methylperoxymethyl)oxetane.

Molecular Properties

Compound Name2-(methylperoxymethyl)oxetane
PubChem CID150558486
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2-(methylperoxymethyl)oxetane
SMILESCOOCC1CCO1
InChIInChI=1S/C5H10O3/c1-6-8-4-5-2-3-7-5/h5H,2-4H2,1H3
InChIKeyIJINBXOSVHBZNM-UHFFFAOYSA-N
XLogP0.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-(Fluoromethoxy)-2-methyloxetane
CID 21411159
2-(Fluoromethoxymethyl)oxetane
CID 57467557
2-[Fluoro(methoxy)methyl]oxetane
CID 68119626
2-(Ethoxymethyl)-3-methyloxetane
CID 89027477
2-(Propan-2-yloxymethyl)oxetane
CID 156869160
2-(Butan-2-yloxymethyl)oxetane
CID 173518310
2-(Butoxymethyl)oxetane
CID 21411158
3-Ethoxyoxetane
CID 22138513
2-(Methoxymethyl)oxetane
CID 22385449
trans-1,2-Dimethoxycyclobutane
CID 54455096
2-(Ethoxymethyl)oxetane
CID 57467550
3-Propoxyoxetane
CID 57467561

Frequently Asked Questions

What is the IUPAC name of 2-(methylperoxymethyl)oxetane?
The IUPAC name of 2-(methylperoxymethyl)oxetane (CID 150558486) is 2-(methylperoxymethyl)oxetane.
What is the SMILES notation for 2-(methylperoxymethyl)oxetane?
The canonical SMILES for 2-(methylperoxymethyl)oxetane is COOCC1CCO1.
What is the InChIKey of 2-(methylperoxymethyl)oxetane?
The InChIKey is IJINBXOSVHBZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-6-8-4-5-2-3-7-5/h5H,2-4H2,1H3.
What are the key properties of 2-(methylperoxymethyl)oxetane?
2-(methylperoxymethyl)oxetane has a molecular weight of 118.13 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylperoxymethyl)oxetane is sourced from PubChem (CID 150558486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).