(E)-{2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}[(4-methoxyphenyl)methylidene]amine

• ChemBase编号: 187264
• 分子式: C24H31NO3
• 平均质量: 381.50784
• 单一同位素质量: 381.23039386
• SMILES: C1(c2ccc(cc2)OC)(CC(OCC1)(C)C)CC/N=C/c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)/C=N/CCC1(CCOC(C1)(C)C)c1ccc(cc1)OC
• InChI: InChI=1S/C24H31NO3/c1-23(2)18-24(14-16-28-23,20-7-11-22(27-4)12-8-20)13-15-25-17-19-5-9-21(26-3)10-6-19/h5-12,17H,13-16,18H2,1-4H3/b25-17+
• InChIKey: PWVDAIZGNIJFFP-KOEQRZSOSA-N

名称和登记号

名称

• IUPAC标准名: (E)-{2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}[(4-methoxyphenyl)methylidene]amine
• IUPAC传统名: (E)-{2-[4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}[(4-methoxyphenyl)methylidene]amine

登记号

• PubChem SID: 164243174
• PubChem CID: 3837927

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.7824786
• LogD (pH = 7.4): 4.2958117
• Log P: 4.526148
• 摩尔折射率: 114.1208 cm^3
• 极化性: 43.984047 Å^3
• 极化表面积: 40.05 Å^2
• 可自由旋转的化学键: 7
• 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