(4-methylidenehex-5-en-1-yl)triphenylphosphanium iodide

• ChemBase编号: 173667
• 分子式: C25H26IP
• 平均质量: 484.352171
• 单一同位素质量: 484.08168546
• SMILES: [P+](CCCC(=C)C=C)(c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• Canonical SMILES: C=CC(=C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• InChI: InChI=1S/C25H26P.HI/c1-3-22(2)14-13-21-26(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25;/h3-12,15-20H,1-2,13-14,21H2;1H/q+1;/p-1
• InChIKey: PZIPHNDDBQKNHE-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (4-methylidenehex-5-en-1-yl)triphenylphosphanium iodide
• IUPAC传统名: (4-methylidenehex-5-en-1-yl)triphenylphosphanium iodide
• 别名: (4-Methylene-5-hexen-1-yl)triphenyl-phosphonium Iodide; (4-Methylene-5-hexenyl)triphenyl-phosphonium Iodide

登记号

• CAS号: 17842-92-1
• PubChem SID: 164229577
• PubChem CID: 21507789

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.4762125
• LogD (pH = 7.4): 6.4762125
• Log P: 6.4762125
• 摩尔折射率: 114.667 cm^3
• 极化性: 45.059345 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Colourless Solid

详细说明

Toronto Research Chemicals - M304105

β-Myrcene intermediate.