3-ethoxy-4-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde

• ChemBase编号: 312438
• 分子式: C13H16O3
• 平均质量: 220.26434
• 单一同位素质量: 220.10994437
• SMILES: c1(c(OCC(=C)C)ccc(c1)C=O)OCC
• Canonical SMILES: CCOc1cc(C=O)ccc1OCC(=C)C
• InChI: InChI=1S/C13H16O3/c1-4-15-13-7-11(8-14)5-6-12(13)16-9-10(2)3/h5-8H,2,4,9H2,1,3H3
• InChIKey: GJMOOYUPIDSNJK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-ethoxy-4-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde
• IUPAC传统名: 3-ethoxy-4-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde
• 别名: 3-ethoxy-4-[(2-methyl-2-propen-1-yl)oxy]benzaldehyde

登记号

• CAS号: 363186-13-4
• MDL号: MFCD08691925

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7018247
• LogD (pH = 7.4): 2.7018247
• Log P: 2.7018247
• 摩尔折射率: 63.7617 cm^3
• 极化性: 24.380306 Å^3
• 极化表面积: 35.53 Å^2