2-(ethenylperoxymethyl)oxirane

C5H8O3 — CID 22238636

IUPAC2-(ethenylperoxymethyl)oxirane
SMILESC=COOCC1CO1
InChIInChI=1S/C5H8O3/c1-2-7-8-4-5-3-6-5/h2,5H,1,3-4H2
InChIKeyYSSUMFXIZIYDAD-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.48
Rot. Bonds4

About 2-(ethenylperoxymethyl)oxirane

2-(ethenylperoxymethyl)oxirane (PubChem CID 22238636) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-(ethenylperoxymethyl)oxirane.

Molecular Properties

Compound Name2-(ethenylperoxymethyl)oxirane
PubChem CID22238636
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name2-(ethenylperoxymethyl)oxirane
SMILESC=COOCC1CO1
InChIInChI=1S/C5H8O3/c1-2-7-8-4-5-3-6-5/h2,5H,1,3-4H2
InChIKeyYSSUMFXIZIYDAD-UHFFFAOYSA-N
XLogP0.48
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(ethenylperoxymethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((2-(Ethenyloxy)ethoxy)methyl)oxirane
CID 204735
((Vinyloxy)methyl)oxirane
CID 107144
Allenyl glycidyl ether
CID 22152495
Ethoxy vinyl glycidyl ether
CID 129856406
2-(3-Ethenoxypropoxymethyl)oxirane
CID 14093184
2-(1-Ethenoxyethyl)oxirane
CID 18937463
2-(Prop-2-enylperoxymethyl)oxirane
CID 20090140
2-(Methylperoxymethyl)oxirane
CID 20157161
2-(Propylperoxymethyl)oxirane
CID 54276351
2-(Butan-2-ylperoxymethyl)oxirane
CID 87148407
Ethene;2-(methylperoxymethyl)oxirane
CID 87169502
2,2,3-Trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane
CID 87227485

Frequently Asked Questions

What is the IUPAC name of 2-(ethenylperoxymethyl)oxirane?
The IUPAC name of 2-(ethenylperoxymethyl)oxirane (CID 22238636) is 2-(ethenylperoxymethyl)oxirane.
What is the SMILES notation for 2-(ethenylperoxymethyl)oxirane?
The canonical SMILES for 2-(ethenylperoxymethyl)oxirane is C=COOCC1CO1.
What is the InChIKey of 2-(ethenylperoxymethyl)oxirane?
The InChIKey is YSSUMFXIZIYDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-2-7-8-4-5-3-6-5/h2,5H,1,3-4H2.
What are the key properties of 2-(ethenylperoxymethyl)oxirane?
2-(ethenylperoxymethyl)oxirane has a molecular weight of 116.12 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylperoxymethyl)oxirane is sourced from PubChem (CID 22238636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).