3-ethenylperoxyprop-1-ene

C5H8O2 — CID 22986889

IUPAC3-ethenylperoxyprop-1-ene
SMILESC=CCOOC=C
InChIInChI=1S/C5H8O2/c1-3-5-7-6-4-2/h3-4H,1-2,5H2
InChIKeyLJSBUEALLZUHPY-UHFFFAOYSA-N
MW100.12 g/mol
LogP1.26
Rot. Bonds4

About 3-ethenylperoxyprop-1-ene

3-ethenylperoxyprop-1-ene (PubChem CID 22986889) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-ethenylperoxyprop-1-ene.

Molecular Properties

Compound Name3-ethenylperoxyprop-1-ene
PubChem CID22986889
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name3-ethenylperoxyprop-1-ene
SMILESC=CCOOC=C
InChIInChI=1S/C5H8O2/c1-3-5-7-6-4-2/h3-4H,1-2,5H2
InChIKeyLJSBUEALLZUHPY-UHFFFAOYSA-N
XLogP1.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethenylperoxyprop-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenylperoxyprop-1-ene?
The IUPAC name of 3-ethenylperoxyprop-1-ene (CID 22986889) is 3-ethenylperoxyprop-1-ene.
What is the SMILES notation for 3-ethenylperoxyprop-1-ene?
The canonical SMILES for 3-ethenylperoxyprop-1-ene is C=CCOOC=C.
What is the InChIKey of 3-ethenylperoxyprop-1-ene?
The InChIKey is LJSBUEALLZUHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-3-5-7-6-4-2/h3-4H,1-2,5H2.
What are the key properties of 3-ethenylperoxyprop-1-ene?
3-ethenylperoxyprop-1-ene has a molecular weight of 100.12 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylperoxyprop-1-ene is sourced from PubChem (CID 22986889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).