benzyl ethyl (undec-10-en-1-yl)phosphonate

• ChemBase编号: 179384
• 分子式: C20H33O3P
• 平均质量: 352.447981
• 单一同位素质量: 352.21673155
• SMILES: C(=C)CCCCCCCCCP(=O)(OCc1ccccc1)OCC
• Canonical SMILES: C=CCCCCCCCCCP(=O)(OCc1ccccc1)OCC
• InChI: InChI=1S/C20H33O3P/c1-3-5-6-7-8-9-10-11-15-18-24(21,22-4-2)23-19-20-16-13-12-14-17-20/h3,12-14,16-17H,1,4-11,15,18-19H2,2H3
• InChIKey: WGIUBJHRZWZCPZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzyl ethyl (undec-10-en-1-yl)phosphonate
• IUPAC传统名: benzyl ethyl undec-10-en-1-ylphosphonate
• 别名: 1-(Benzyloxyethoxyphosphinyl)-10-undecene; 10-Undecenyl-phosphonic Acid Benzyl Ethyl Diester

登记号

• PubChem SID: 164235294
• PubChem CID: 71752883

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.9367304
• LogD (pH = 7.4): 5.9367304
• Log P: 5.9367304
• 摩尔折射率: 101.7523 cm^3
• 极化性: 40.52835 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate
• 外观: Light Yellow Oil

详细说明

Toronto Research Chemicals - U789000

Phosphorylating Agent.