4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4,5-dihydro-1,3-oxazole

• ChemBase编号: 798739
• 分子式: C17H30N2O2
• 平均质量: 294.4323
• 单一同位素质量: 294.23072821
• SMILES: C(CC)(C1=NC(CO1)C(C)(C)C)C1=NC(CO1)C(C)(C)C
• Canonical SMILES: CCC(C1=NC(CO1)C(C)(C)C)C1=NC(CO1)C(C)(C)C
• InChI: InChI=1S/C17H30N2O2/c1-8-11(14-18-12(9-20-14)16(2,3)4)15-19-13(10-21-15)17(5,6)7/h11-13H,8-10H2,1-7H3
• InChIKey: ZVGBNZSVPDXNBV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4,5-dihydro-1,3-oxazole
• IUPAC传统名: 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4,5-dihydro-1,3-oxazole
• 别名: (s,s)-(-)-2,2'-isopropylidenebis(4-tert-butyl-2-oxazoline); (r,r)-(-)-2,2'-isopropylidenebis(4-tert-butyl-2-oxazoline)

登记号

• CAS号: 131833-97-1; 131833-93-7

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.369352
• LogD (pH = 7.4): 4.3757777
• Log P: 4.3758597
• 摩尔折射率: 83.8339 cm^3
• 极化性: 33.419853 Å^3
• 极化表面积: 43.18 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%