1-methyl-4-(2-{4-[2-(4-methylphenyl)ethenyl]phenyl}ethenyl)benzene

• ChemBase编号: 90757
• 分子式: C24H22
• 平均质量: 310.43148
• 单一同位素质量: 310.1721507
• SMILES: Cc1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)/C=C/c1ccc(cc1)/C=C/c1ccc(cc1)C
• InChI: InChI=1S/C24H22/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22/h3-18H,1-2H3
• InChIKey: BCASZEAAHJEDAL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-4-(2-{4-[2-(4-methylphenyl)ethenyl]phenyl}ethenyl)benzene
• IUPAC传统名: 1-methyl-4-(2-{4-[2-(4-methylphenyl)ethenyl]phenyl}ethenyl)benzene
• 别名: 1,4-Bis[2-(4-methylphenyl)ethenyl]benzene; 1,4-Bis(4-methylstyryl)benzene; 1,1'-(Benzene-1,4-diyldiethene-2,1-diyl)bis(4-methylbenzene); 1,4-Bis[2-(4-methylphenyl)vinyl]benzene

登记号

• CAS号: 76439-00-4
• PubChem SID: 162077488
• PubChem CID: 6139005

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.6797705
• LogD (pH = 7.4): 7.6797705
• Log P: 7.6797705
• 摩尔折射率: 107.05 cm^3
• 极化性: 40.4703 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Harmful/Irritant/Light Sensitive/Air Sensitive/Store under Argon/Keep Cold