2-(methoxymethyl)-2-methyloxirane

• ChemBase ID: 240913
• Molecular Formular: C5H10O2
• Molecular Mass: 102.1317
• Monoisotopic Mass: 102.06807956
• SMILES: C1(OC1)(COC)C
• Canonical SMILES: COCC1(C)CO1
• InChI: InChI=1S/C5H10O2/c1-5(3-6-2)4-7-5/h3-4H2,1-2H3
• InChIKey: HWGZYRGYOMNFSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methoxymethyl)-2-methyloxirane
• IUPAC Traditional name: 2-(methoxymethyl)-2-methyloxirane
• Synonyms: 2-(methoxymethyl)-2-methyloxirane

Database IDs

• MDL Number: MFCD17218296
• PubChem SID: 164296823
• PubChem CID: 12084878

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.24639273
• LogD (pH = 7.4): 0.24639273
• Log P: 0.24639273
• Molar Refractivity: 26.3954 cm^3
• Polarizability: 10.614007 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.316

Product Information

• Purity: 95%