12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol

• ChemBase编号: 98762
• 分子式: C17H21F13O
• 平均质量: 488.3272816
• 单一同位素质量: 488.13848215
• SMILES: OCCCCCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCCCCCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C17H21F13O/c18-12(19,10-8-6-4-2-1-3-5-7-9-11-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h8,10,31H,1-7,9,11H2
• InChIKey: OCVCPUQNCRNBAZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol
• IUPAC传统名: 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol
• 别名: 11-(Perfluoro-n-hexyl)undec-10-en-1-ol 97%

登记号

• MDL号: MFCD00236707
• PubChem SID: 162085131
• PubChem CID: 5708694

理论计算性质

• Acid pKa: 16.843943
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 7.8675904
• LogD (pH = 7.4): 7.8675904
• Log P: 7.8675904
• 摩尔折射率: 84.332 cm^3
• 极化性: 30.878704 Å^3
• 极化表面积: 20.23 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

• 沸点: 130°C/3mm

安全信息

• 保存注意事项: Irritant