2-ethenyl-5-methylfuran

• ChemBase ID: 242020
• Molecular Formular: C7H8O
• Molecular Mass: 108.13782
• Monoisotopic Mass: 108.05751488
• SMILES: o1c(ccc1C)C=C
• Canonical SMILES: Cc1ccc(o1)C=C
• InChI: InChI=1S/C7H8O/c1-3-7-5-4-6(2)8-7/h3-5H,1H2,2H3
• InChIKey: LTQOQNQWJBSGPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenyl-5-methylfuran
• IUPAC Traditional name: 2-ethenyl-5-methylfuran
• Synonyms: 2-ethenyl-5-methylfuran

Database IDs

• MDL Number: MFCD20384607
• PubChem SID: 164297930
• PubChem CID: 3014647

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9697559
• LogD (pH = 7.4): 1.9697559
• Log P: 1.9697559
• Molar Refractivity: 33.2849 cm^3
• Polarizability: 12.476485 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.541

Product Information

• Purity: 95%