3,9-bis(2,4-dimethoxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

• ChemBase编号: 182858
• 分子式: C23H28O8
• 平均质量: 432.46362
• 单一同位素质量: 432.17841786
• SMILES: c1(C2OCC3(CO2)COC(c2c(cc(cc2)OC)OC)OC3)c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1C1OCC2(CO1)COC(OC2)c1ccc(cc1OC)OC
• InChI: InChI=1S/C23H28O8/c1-24-15-5-7-17(19(9-15)26-3)21-28-11-23(12-29-21)13-30-22(31-14-23)18-8-6-16(25-2)10-20(18)27-4/h5-10,21-22H,11-14H2,1-4H3
• InChIKey: RMIBEETXTLLULB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,9-bis(2,4-dimethoxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
• IUPAC传统名: 3,9-bis(2,4-dimethoxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

登记号

• PubChem SID: 164238768
• PubChem CID: 1760714

理论计算性质

• 质子受体: 8
• 质子供体: 0
• LogD (pH = 5.5): 2.960887
• LogD (pH = 7.4): 2.960887
• Log P: 2.960887
• 摩尔折射率: 111.3477 cm^3
• 极化性: 44.23476 Å^3
• 极化表面积: 73.84 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds