9-methyldecan-1-ol

• ChemBase编号: 173503
• 分子式: C11H24O
• 平均质量: 172.30766
• 单一同位素质量: 172.18271539
• SMILES: C(CCCCCCCCO)(C)C
• Canonical SMILES: OCCCCCCCCC(C)C
• InChI: InChI=1S/C11H24O/c1-11(2)9-7-5-3-4-6-8-10-12/h11-12H,3-10H2,1-2H3
• InChIKey: JTKHUJNVHQWSAY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-methyldecan-1-ol
• IUPAC传统名: 9-methyldecan-1-ol
• 别名: 9-Methyl-1-decanol; 9-Methyldecanol

登记号

• CAS号: 55505-28-7
• PubChem SID: 164229413
• PubChem CID: 103950

理论计算性质

• Acid pKa: 16.843943
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.759753
• LogD (pH = 7.4): 3.759753
• Log P: 3.759753
• 摩尔折射率: 54.2895 cm^3
• 极化性: 21.629404 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M295160

9-Methyldecanol is used in the synthesis of apolipoprotein E secretion stimulator N 4909.

参考文献

• Yamada, N., et al.: J. Clin. Invest., 89, 706 (1992)
• Hiramoto, S., et al.: J. Antibiotics, 49, 949 (1992)