(2H5)ethyl (9Z)-octadec-9-enoate

• ChemBase编号: 168704
• 分子式: C20H38O2
• 平均质量: 310.51452
• 单一同位素质量: 310.28718046
• SMILES: C(CCCCCC(=O)OCC)C/C=C\CCCCCCCC
• Canonical SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC
• InChI: InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
• InChIKey: LVGKNOAMLMIIKO-QXMHVHEDSA-N

名称和登记号

名称

• IUPAC标准名: (^2H₅)ethyl (9Z)-octadec-9-enoate
• IUPAC传统名: (^2H₅)ethyl (9Z)-octadec-9-enoate
• 别名: (9Z)-9-Octadecenoic Acid Ethyl Ester-d5; Crodamol EO-d5; Esterol 123-d5; Ethyl (Z)-9-Octadecenoate-d5; Ethyl cis-9-Octadecenoate-d5; Ethyl Oleate-d5; Nikkol EOO-d5; Nofable EO 99-d5; Oleic Acid Ethyl Ester; Ethyl Oleate-d5

登记号

• PubChem SID: 162262836
• PubChem CID: 71316649

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.2865005
• LogD (pH = 7.4): 7.2865005
• Log P: 7.2865005
• 摩尔折射率: 96.9199 cm^3
• 极化性: 38.117664 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Benzene; Chloroform; DMSO
• 外观: Colorless Oil

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - E925327

Labelled Ethyl Oleate. It was obtained by the hydrolysis of various animal and vegetable fats and oils.

参考文献

• Stoffel, W., et al.: Z. Physiol. Chem., 353, 1962 (1972)
• Bonte, F.J., et al.: Radiology, 108. 195 (1972)