ethyl 2-(2-propyl-1,3-dioxolan-2-yl)acetate

• ChemBase编号: 168525
• 分子式: C10H18O4
• 平均质量: 202.24752
• 单一同位素质量: 202.12050906
• SMILES: C(=O)(CC1(CCC)OCCO1)OCC
• Canonical SMILES: CCOC(=O)CC1(CCC)OCCO1
• InChI: InChI=1S/C10H18O4/c1-3-5-10(13-6-7-14-10)8-9(11)12-4-2/h3-8H2,1-2H3
• InChIKey: AXNPDRYPXSHROR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-(2-propyl-1,3-dioxolan-2-yl)acetate
• IUPAC传统名: ethyl 2-(2-propyl-1,3-dioxolan-2-yl)acetate
• 别名: 2-Propyl-1,3-dioxolane-2-acetic Acid Ethyl Ester; (2-Propyl-1,3-dioxolan-2-yl)acetic Acid Ethyl Ester; 3,3-Ethylenedioxyhexanoic Acid Ethyl Ester; Ethyl 3-(1,3-Dioxolane)hexanoate

登记号

• CAS号: 76924-94-2
• PubChem SID: 162262657
• PubChem CID: 14505110

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.7791296
• LogD (pH = 7.4): 1.7791296
• Log P: 1.7791296
• 摩尔折射率: 51.2179 cm^3
• 极化性: 20.618595 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate
• 外观: Colourless Viscous Liquid