dimethyldioxirane

• ChemBase ID: 127092
• Molecular Formular: C3H6O2
• Molecular Mass: 74.07854
• Monoisotopic Mass: 74.03677943
• SMILES: CC1(OO1)C
• Canonical SMILES: CC1(C)OO1
• InChI: InChI=1S/C3H6O2/c1-3(2)4-5-3/h1-2H3
• InChIKey: FFHWGQQFANVOHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyldioxirane
• IUPAC Traditional name: dimethyldioxirane
• Synonyms: DMDO; Dimethyldioxirane

Database IDs

• CAS Number: 74087-85-7
• PubChem SID: 162221415
• PubChem CID: 115197
• Chemspider ID: 103073
• Wikipedia Title: Dimethyldioxirane

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.72489065
• LogD (pH = 7.4): 0.72489065
• Log P: 0.72489065
• Molar Refractivity: 16.7984 cm^3
• Polarizability: 6.9655714 Å^3
• Polar Surface Area: 25.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true