[(2E)-3-methoxy-2-methylprop-2-en-1-ylidene]dimethylazanium; hexafluoro-λ5-phosphanuide

• ChemBase编号: 801420
• 分子式: C7H14F6NOP
• 平均质量: 273.1563402
• 单一同位素质量: 273.07172002
• SMILES: [P-](F)(F)(F)(F)(F)F.C[N+](=C/C(=C/OC)/C)C
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CO/C=C(/C=[N+](C)C)\C
• InChI: InChI=1S/C7H14NO.F6P/c1-7(6-9-4)5-8(2)3;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1/b7-6+
• InChIKey: ZIYJQXBNXRBTKN-UHDJGPCESA-N

名称和登记号

名称

• IUPAC标准名: [(2E)-3-methoxy-2-methylprop-2-en-1-ylidene]dimethylazanium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: [(2E)-3-methoxy-2-methylprop-2-en-1-ylidene]dimethylazanium hexafluorophosphate
• 别名: N-[(2E)-3-METHOXY-2-METHYLPROP-2-ENYLIDENE]-N-METHYLMETHANAMINIUM HEXAFLUOROPHOSPHATE

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -2.9878323
• LogD (pH = 7.4): -2.9878323
• Log P: -2.9878323
• 摩尔折射率: 50.5174 cm^3
• 极化性: 15.089913 Å^3
• 极化表面积: 12.24 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%