2-ethyl-2-methyloxirane

• ChemBase ID: 238626
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: O1C(C1)(CC)C
• Canonical SMILES: CCC1(C)CO1
• InChI: InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3
• InChIKey: QZXUQPKFNQQQAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-2-methyloxirane
• IUPAC Traditional name: 2-ethyl-2-methyloxirane
• Synonyms: 2-ethyl-2-methyloxirane

Database IDs

• MDL Number: MFCD00046998
• PubChem SID: 164294536
• PubChem CID: 121763

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1726986
• LogD (pH = 7.4): 1.1726986
• Log P: 1.1726986
• Molar Refractivity: 24.6245 cm^3
• Polarizability: 9.900833 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.295

Product Information

• Purity: 95%