2,2,3,3,4,4-hexafluoro-5-[(2-methylprop-2-enoyl)oxy]pentyl 2-methylprop-2-enoate

• ChemBase编号: 6537
• 分子式: C13H14F6O4
• 平均质量: 348.2382792
• 单一同位素质量: 348.07962825
• SMILES: O=C(OCC(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCC(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F
• InChI: InChI=1S/C13H14F6O4/c1-7(2)9(20)22-5-11(14,15)13(18,19)12(16,17)6-23-10(21)8(3)4/h1,3,5-6H2,2,4H3
• InChIKey: KVQKTWAXEMSAGH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4-hexafluoro-5-[(2-methylprop-2-enoyl)oxy]pentyl 2-methylprop-2-enoate
• IUPAC传统名: 2,2,3,3,4,4-hexafluoro-5-[(2-methylprop-2-enoyl)oxy]pentyl 2-methylprop-2-enoate
• 别名: 2,2,3,3,4,4-Hexafluoro-1,5-pentyl dimethacrylate; 1H,1H,5H,5H-Perfluoropent-1,5-diyl dimethacrylate; 2,2,3,3,4,4-Hexafluoropent-1,5-diyl dimethacrylate

登记号

• CAS号: 918-36-5
• MDL号: MFCD00069086
• PubChem SID: 160969844
• PubChem CID: 2778280

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.5458536
• LogD (pH = 7.4): 4.5458536
• Log P: 4.5458536
• 摩尔折射率: 64.8702 cm^3
• 极化性: 24.961605 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 折射率: 1.4105

安全信息

• 保存注意事项: Flammable/Keep Cold
• TSCA收录: false

产品相关信息

• 纯度: 97%