5,8-dimethoxy-1,4-dihydronaphthalene

• ChemBase编号: 167703
• 分子式: C12H14O2
• 平均质量: 190.23836
• 单一同位素质量: 190.09937969
• SMILES: c1cc(c2c(c1OC)CC=CC2)OC
• Canonical SMILES: COc1ccc(c2c1CC=CC2)OC
• InChI: InChI=1S/C12H14O2/c1-13-11-7-8-12(14-2)10-6-4-3-5-9(10)11/h3-4,7-8H,5-6H2,1-2H3
• InChIKey: RSYYSWWHZPCDIT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,8-dimethoxy-1,4-dihydronaphthalene
• IUPAC传统名: 1,4-dimethoxy-5,8-dihydronaphthalene
• 别名: 1,4-Dihydro-5,8-dimethoxynaphthalene; 5,8-Dimethoxy-1,4-dihydronaphthalene; 5,8-Dihydro-1,4-dimethoxynaphthalene

登记号

• CAS号: 55077-79-7
• PubChem SID: 162261836
• PubChem CID: 11788750

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.748236
• LogD (pH = 7.4): 2.748236
• Log P: 2.748236
• 摩尔折射率: 57.5832 cm^3
• 极化性: 21.755644 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ether; Ethyl Acetate
• 外观: Orange Oil