3-methyl-4-{4-[3-(prop-2-enoyloxy)propoxy]benzoyloxy}phenyl 4-[3-(prop-2-enoyloxy)propoxy]benzoate

• ChemBase编号: 293979
• 分子式: C33H32O10
• 平均质量: 588.60118
• 单一同位素质量: 588.19954722
• SMILES: Cc1cc(OC(=O)c2ccc(OCCCOC(=O)C=C)cc2)ccc1OC(=O)c1ccc(OCCCOC(=O)C=C)cc1
• Canonical SMILES: C=CC(=O)OCCCOc1ccc(cc1)C(=O)Oc1ccc(c(c1)C)OC(=O)c1ccc(cc1)OCCCOC(=O)C=C
• InChI: InChI=1S/C33H32O10/c1-4-30(34)40-20-6-18-38-26-12-8-24(9-13-26)32(36)42-28-16-17-29(23(3)22-28)43-33(37)25-10-14-27(15-11-25)39-19-7-21-41-31(35)5-2/h4-5,8-17,22H,1-2,6-7,18-21H2,3H3
• InChIKey: ISSYGWIDLYOJEN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-methyl-4-{4-[3-(prop-2-enoyloxy)propoxy]benzoyloxy}phenyl 4-[3-(prop-2-enoyloxy)propoxy]benzoate
• IUPAC传统名: 3-methyl-4-{4-[3-(prop-2-enoyloxy)propoxy]benzoyloxy}phenyl 4-[3-(prop-2-enoyloxy)propoxy]benzoate
• 别名: 2-Methyl-1,4-phenylene bis(4-(3-(acryloyloxy)propoxy)benzoate)

登记号

• CAS号: 174063-87-7
• PubChem SID: 180679510
• PubChem CID: 20807398

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 7.0954146
• LogD (pH = 7.4): 7.0954146
• Log P: 7.0954146
• 摩尔折射率: 157.5452 cm^3
• 极化性: 60.929142 Å^3
• 极化表面积: 123.66 Å^2
• 可自由旋转的化学键: 20
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 95+%