tert-butyl N-{1-oxa-8-azaspiro[4.5]decan-3-yl}carbamate

• ChemBase编号: 309940
• 分子式: C13H24N2O3
• 平均质量: 256.34126
• 单一同位素质量: 256.17869264
• SMILES: C(=O)(NC1CC2(OC1)CCNCC2)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NC1COC2(C1)CCNCC2
• InChI: InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-10-8-13(17-9-10)4-6-14-7-5-13/h10,14H,4-9H2,1-3H3,(H,15,16)
• InChIKey: ACUKKOFVWISMOI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl N-{1-oxa-8-azaspiro[4.5]decan-3-yl}carbamate
• IUPAC传统名: tert-butyl N-{1-oxa-8-azaspiro[4.5]decan-3-yl}carbamate
• 别名: tert-butyl 1-oxa-8-azaspiro[4.5]dec-3-ylcarbamate

登记号

• MDL号: MFCD22370149

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -2.8838634
• LogD (pH = 7.4): -2.1852522
• Log P: 0.3353918
• 摩尔折射率: 68.4479 cm^3
• 极化性: 27.356264 Å^3
• 极化表面积: 59.59 Å^2