[(2Z)-2-(methoxymethylidene)butylidene]dimethylazanium; hexafluoro-λ5-phosphanuide

• ChemBase编号: 801411
• 分子式: C8H16F6NOP
• 平均质量: 287.1829202
• 单一同位素质量: 287.08737009
• SMILES: [P-](F)(F)(F)(F)(F)F.C[N+](=C/C(=C\OC)/CC)C
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CO/C=C(\C=[N+](C)C)/CC
• InChI: InChI=1S/C8H16NO.F6P/c1-5-8(7-10-4)6-9(2)3;1-7(2,3,4,5)6/h6-7H,5H2,1-4H3;/q+1;-1/b8-7-
• InChIKey: SOLXMPUNEYTMRT-CFYXSCKTSA-N

名称和登记号

名称

• IUPAC标准名: [(2Z)-2-(methoxymethylidene)butylidene]dimethylazanium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: [(2Z)-2-(methoxymethylidene)butylidene]dimethylazanium hexafluorophosphate
• 别名: N-[(2Z)-2-ETHYL-3-METHOXYPROP-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): -2.5432634
• LogD (pH = 7.4): -2.5432634
• Log P: -2.5432634
• 摩尔折射率: 55.1184 cm^3
• 极化性: 16.934225 Å^3
• 极化表面积: 12.24 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%