ethyl 3-[(tert-butoxy)[(tert-butoxy)carbonyl]amino]cyclopentane-1-carboxylate

• ChemBase编号: 812232
• 分子式: C17H31NO5
• 平均质量: 329.43174
• 单一同位素质量: 329.2202231
• SMILES: C1(CC(CC1)N(C(=O)OC(C)(C)C)OC(C)(C)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1CCC(C1)N(C(=O)OC(C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C17H31NO5/c1-8-21-14(19)12-9-10-13(11-12)18(23-17(5,6)7)15(20)22-16(2,3)4/h12-13H,8-11H2,1-7H3
• InChIKey: UDMWNBFJOAYTOR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-[(tert-butoxy)[(tert-butoxy)carbonyl]amino]cyclopentane-1-carboxylate
• IUPAC传统名: ethyl 3-[tert-butoxy(tert-butoxycarbonyl)amino]cyclopentane-1-carboxylate
• 别名: 3-TERT-BUTOXY-1-TERT-BUTOXYCARBONYLAMINO-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.3755255
• LogD (pH = 7.4): 3.3755255
• Log P: 3.3755255
• 摩尔折射率: 87.0151 cm^3
• 极化性: 34.710854 Å^3
• 极化表面积: 65.07 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%