2-(hydroperoxymethyl)oxetane

C4H8O3 — CID 118198175

IUPAC2-(hydroperoxymethyl)oxetane
SMILESOOCC1CCO1
InChIInChI=1S/C4H8O3/c5-7-3-4-1-2-6-4/h4-5H,1-3H2
InChIKeyMPMALZWWSYNQKW-UHFFFAOYSA-N
MW104.11 g/mol
LogP0.26
Rot. Bonds2

About 2-(hydroperoxymethyl)oxetane

2-(hydroperoxymethyl)oxetane (PubChem CID 118198175) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-(hydroperoxymethyl)oxetane.

Molecular Properties

Compound Name2-(hydroperoxymethyl)oxetane
PubChem CID118198175
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name2-(hydroperoxymethyl)oxetane
SMILESOOCC1CCO1
InChIInChI=1S/C4H8O3/c5-7-3-4-1-2-6-4/h4-5H,1-3H2
InChIKeyMPMALZWWSYNQKW-UHFFFAOYSA-N
XLogP0.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 50.26
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(hydroperoxymethyl)oxetane?
The IUPAC name of 2-(hydroperoxymethyl)oxetane (CID 118198175) is 2-(hydroperoxymethyl)oxetane.
What is the SMILES notation for 2-(hydroperoxymethyl)oxetane?
The canonical SMILES for 2-(hydroperoxymethyl)oxetane is OOCC1CCO1.
What is the InChIKey of 2-(hydroperoxymethyl)oxetane?
The InChIKey is MPMALZWWSYNQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c5-7-3-4-1-2-6-4/h4-5H,1-3H2.
What are the key properties of 2-(hydroperoxymethyl)oxetane?
2-(hydroperoxymethyl)oxetane has a molecular weight of 104.11 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroperoxymethyl)oxetane is sourced from PubChem (CID 118198175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).