8-(2H3)methyl(8,9,9,9-2H4)nonan-1-ol

• ChemBase编号: 174098
• 分子式: C10H22O
• 平均质量: 158.28108
• 单一同位素质量: 158.16706532
• SMILES: C(CCCCCCCO)(C)C
• Canonical SMILES: OCCCCCCCC(C)C
• InChI: InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3
• InChIKey: PLLBRTOLHQQAQQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-(^2H₃)methyl(8,9,9,9-^2H₄)nonan-1-ol
• IUPAC传统名: 8-(^2H₃)methyl(8,9,9,9-^2H₄)nonan-1-ol
• 别名: 8-Methyl-1-nonanol-d7; 8-Methylnonanol-d7

登记号

• PubChem SID: 164230008
• PubChem CID: 71750514

理论计算性质

• Acid pKa: 16.843943
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.3151844
• LogD (pH = 7.4): 3.3151844
• Log P: 3.3151844
• 摩尔折射率: 49.6885 cm^3
• 极化性: 19.78336 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M325617

Labelled 8-Methylnonanol (M325615). 8-Methylnonanol is used in the composition of perfume with natural floral fragrance.