2-({4-[bis(5-methylfuran-2-yl)methyl]phenyl}(5-methylfuran-2-yl)methyl)-5-methylfuran

• ChemBase编号: 182052
• 分子式: C28H26O4
• 平均质量: 426.50364
• 单一同位素质量: 426.18310931
• SMILES: c1(C(c2oc(cc2)C)c2ccc(C(c3oc(cc3)C)c3oc(cc3)C)cc2)oc(cc1)C
• Canonical SMILES: Cc1ccc(o1)C(c1ccc(o1)C)c1ccc(cc1)C(c1ccc(o1)C)c1ccc(o1)C
• InChI: InChI=1S/C28H26O4/c1-17-5-13-23(29-17)27(24-14-6-18(2)30-24)21-9-11-22(12-10-21)28(25-15-7-19(3)31-25)26-16-8-20(4)32-26/h5-16,27-28H,1-4H3
• InChIKey: RRVUFAMSZPVECV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-({4-[bis(5-methylfuran-2-yl)methyl]phenyl}(5-methylfuran-2-yl)methyl)-5-methylfuran
• IUPAC传统名: 2-({4-[bis(5-methylfuran-2-yl)methyl]phenyl}(5-methylfuran-2-yl)methyl)-5-methylfuran

登记号

• PubChem SID: 164237962
• PubChem CID: 2751428

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.653103
• LogD (pH = 7.4): 5.653103
• Log P: 5.653103
• 摩尔折射率: 125.2464 cm^3
• 极化性: 46.727646 Å^3
• 极化表面积: 52.56 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds