tetratriacontan-1-ol

• ChemBase编号: 178308
• 分子式: C34H70O
• 平均质量: 494.919
• 单一同位素质量: 494.54266686
• SMILES: C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)C
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C34H70O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35/h35H,2-34H2,1H3
• InChIKey: OULAJFUGPPVRBK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetratriacontan-1-ol
• IUPAC传统名: geddyl alcohol
• 别名: Geddyl Alcohol; Sapiol; Tetratriacontyl Alcohol; 1-Tetratriacontanol

登记号

• CAS号: 28484-70-0
• PubChem SID: 164234218
• PubChem CID: 185639

理论计算性质

• Acid pKa: 16.843943
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 14.142382
• LogD (pH = 7.4): 14.142382
• Log P: 14.142382
• 摩尔折射率: 160.1649 cm^3
• 极化性: 64.10404 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 32
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - T306480

A fatty alcohol that is categorized under the class of policosanols(PC). Studies show that it is also found in rice hulls with potential use as a herbicidal agent.

参考文献

• Marinangeli, C.P. et al.: Br. J. Nutrit., 97, 381 (2007)
• Chung, I. et al.: J. Chem. Eco., 31, 1339 (2007)