2-(propylperoxymethyl)oxirane

C6H12O3 — CID 54276351

IUPAC2-(propylperoxymethyl)oxirane
SMILESCCCOOCC1CO1
InChIInChI=1S/C6H12O3/c1-2-3-8-9-5-6-4-7-6/h6H,2-5H2,1H3
InChIKeyMRCAZVGMBFXXOC-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.74
Rot. Bonds5

About 2-(propylperoxymethyl)oxirane

2-(propylperoxymethyl)oxirane (PubChem CID 54276351) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(propylperoxymethyl)oxirane.

Molecular Properties

Compound Name2-(propylperoxymethyl)oxirane
PubChem CID54276351
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-(propylperoxymethyl)oxirane
SMILESCCCOOCC1CO1
InChIInChI=1S/C6H12O3/c1-2-3-8-9-5-6-4-7-6/h6H,2-5H2,1H3
InChIKeyMRCAZVGMBFXXOC-UHFFFAOYSA-N
XLogP0.74
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(propylperoxymethyl)oxirane?
The IUPAC name of 2-(propylperoxymethyl)oxirane (CID 54276351) is 2-(propylperoxymethyl)oxirane.
What is the SMILES notation for 2-(propylperoxymethyl)oxirane?
The canonical SMILES for 2-(propylperoxymethyl)oxirane is CCCOOCC1CO1.
What is the InChIKey of 2-(propylperoxymethyl)oxirane?
The InChIKey is MRCAZVGMBFXXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-3-8-9-5-6-4-7-6/h6H,2-5H2,1H3.
What are the key properties of 2-(propylperoxymethyl)oxirane?
2-(propylperoxymethyl)oxirane has a molecular weight of 132.16 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylperoxymethyl)oxirane is sourced from PubChem (CID 54276351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).