2-methyl-2-phenyloxirane

• ChemBase ID: 266776
• Molecular Formular: C9H10O
• Molecular Mass: 134.1751
• Monoisotopic Mass: 134.07316494
• SMILES: O1C(C1)(c1ccccc1)C
• Canonical SMILES: CC1(OC1)c1ccccc1
• InChI: InChI=1S/C9H10O/c1-9(7-10-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
• InChIKey: MRXPNWXSFCODDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-phenyloxirane
• IUPAC Traditional name: 2-methyl-2-phenyloxirane
• Synonyms: 2-methyl-2-phenyloxirane

Database IDs

• MDL Number: MFCD00059156
• PubChem SID: 164322686
• PubChem CID: 16398

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0178413
• LogD (pH = 7.4): 2.0178413
• Log P: 2.0178413
• Molar Refractivity: 39.9645 cm^3
• Polarizability: 15.821511 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.805

Product Information

• Purity: 95%