2-methyl-2-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,3-oxazolidine

• ChemBase编号: 181048
• 分子式: C18H31NO
• 平均质量: 277.44484
• 单一同位素质量: 277.24056462
• SMILES: C12=C(CC(C(C3(NCCO3)C)(C1)C)C)CCCC2(C)C
• Canonical SMILES: CC1CC2=C(CC1(C)C1(C)NCCO1)C(CCC2)(C)C
• InChI: InChI=1S/C18H31NO/c1-13-11-14-7-6-8-16(2,3)15(14)12-17(13,4)18(5)19-9-10-20-18/h13,19H,6-12H2,1-5H3
• InChIKey: FQJQKNKQNJSHCA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-2-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)-1,3-oxazolidine
• IUPAC传统名: 2-methyl-2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)-1,3-oxazolidine

登记号

• PubChem SID: 164236958
• PubChem CID: 23940694

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.96697235
• LogD (pH = 7.4): 2.288221
• Log P: 4.0791435
• 摩尔折射率: 84.3231 cm^3
• 极化性: 33.69788 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 简要说明: Diastereomers
• 分类: Rare Derivatives of Natural Compounds