1-ethenyl-4-ethylbenzene

• ChemBase ID: 285945
• Molecular Formular: C10H12
• Molecular Mass: 132.20228
• Monoisotopic Mass: 132.09390038
• SMILES: C(=C)c1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)C=C
• InChI: InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3
• InChIKey: WHFHDVDXYKOSKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-4-ethylbenzene
• IUPAC Traditional name: P-ethylstyrene
• Synonyms: 1-ethenyl-4-ethylbenzene

Database IDs

• MDL Number: MFCD00085258
• PubChem SID: 180671476
• PubChem CID: 18940

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.667938
• LogD (pH = 7.4): 3.667938
• Log P: 3.667938
• Molar Refractivity: 45.3865 cm^3
• Polarizability: 17.554996 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.894

Product Information

• Purity: 95%