2-(methoxymethyl)oxirane

• ChemBase ID: 124716
• Molecular Formular: C4H8O2
• Molecular Mass: 88.10512
• Monoisotopic Mass: 88.0524295
• SMILES: O1C(C1)COC
• Canonical SMILES: COCC1CO1
• InChI: InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3
• InChIKey: LKMJVFRMDSNFRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00005140
• PubChem SID: 162219069
• PubChem CID: 13589

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.034183946
• LogD (pH = 7.4): -0.034183946
• Log P: -0.034183946
• Molar Refractivity: 21.7572 cm^3
• Polarizability: 8.785985 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.203

Product Information

• Purity: 95%