1,6,7-trimethoxy-3-methyl-5-(propan-2-yl)-2-[1,6,7-trimethoxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]naphthalene

• ChemBase编号: 189725
• 分子式: C34H42O6
• 平均质量: 546.69368
• 单一同位素质量: 546.29813906
• SMILES: c1(c2c(c3c(c(c(c(c3)OC)OC)C(C)C)cc2C)OC)c(c2c(c(c(c(c2)OC)OC)C(C)C)cc1C)OC
• Canonical SMILES: COc1c(c(C)cc2c1cc(OC)c(c2C(C)C)OC)c1c(C)cc2c(c1OC)cc(c(c2C(C)C)OC)OC
• InChI: InChI=1S/C34H42O6/c1-17(2)27-21-13-19(5)29(31(37-9)23(21)15-25(35-7)33(27)39-11)30-20(6)14-22-24(32(30)38-10)16-26(36-8)34(40-12)28(22)18(3)4/h13-18H,1-12H3
• InChIKey: PJUBHJXUFSDNKB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,6,7-trimethoxy-3-methyl-5-(propan-2-yl)-2-[1,6,7-trimethoxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]naphthalene
• IUPAC传统名: 1-isopropyl-6-(5-isopropyl-1,6,7-trimethoxy-3-methylnaphthalen-2-yl)-2,3,5-trimethoxy-7-methylnaphthalene

登记号

• PubChem SID: 164245635
• PubChem CID: 237066

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 8.1702585
• LogD (pH = 7.4): 8.1702585
• Log P: 8.1702585
• 摩尔折射率: 161.3378 cm^3
• 极化性: 65.909744 Å^3
• 极化表面积: 55.38 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds