2-(2-methoxyethyl)-4-{2-[(2-methylprop-2-en-1-yl)oxy]benzoyl}morpholine

• ChemBase编号: 374760
• 分子式: C18H25NO4
• 平均质量: 319.3954
• 单一同位素质量: 319.17835829
• SMILES: C(=O)(N1CC(OCC1)CCOC)c1c(OCC(=C)C)cccc1
• Canonical SMILES: COCCC1OCCN(C1)C(=O)c1ccccc1OCC(=C)C
• InChI: InChI=1S/C18H25NO4/c1-14(2)13-23-17-7-5-4-6-16(17)18(20)19-9-11-22-15(12-19)8-10-21-3/h4-7,15H,1,8-13H2,2-3H3
• InChIKey: MOSBDZUEGTUBKL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-methoxyethyl)-4-{2-[(2-methylprop-2-en-1-yl)oxy]benzoyl}morpholine
• IUPAC传统名: 2-(2-methoxyethyl)-4-{2-[(2-methylprop-2-en-1-yl)oxy]benzoyl}morpholine
• 别名: 2-(2-methoxyethyl)-4-{2-[(2-methylprop-2-en-1-yl)oxy]benzoyl}morpholine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.9424288
• LogD (pH = 7.4): 1.942429
• Log P: 1.942429
• 摩尔折射率: 89.4913 cm^3
• 极化性: 34.514652 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.34
• LOG S: -3.52
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 7