2-(ethoxymethyl)oxirane

• ChemBase ID: 272870
• Molecular Formular: C5H10O2
• Molecular Mass: 102.1317
• Monoisotopic Mass: 102.06807956
• SMILES: O1C(C1)COCC
• Canonical SMILES: CCOCC1CO1
• InChI: InChI=1S/C5H10O2/c1-2-6-3-5-4-7-5/h5H,2-4H2,1H3
• InChIKey: HQCSZRIVJVOYSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethoxymethyl)oxirane
• IUPAC Traditional name: oxirane, (ethoxymethyl)-
• Synonyms: 2-(ethoxymethyl)oxirane

Database IDs

• MDL Number: MFCD00085264
• PubChem SID: 164328780
• PubChem CID: 19919

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.322624
• LogD (pH = 7.4): 0.322624
• Log P: 0.322624
• Molar Refractivity: 26.5058 cm^3
• Polarizability: 10.614007 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.186

Product Information

• Purity: 95%