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

• ChemBase编号: 181898
• 分子式: C19H33NO
• 平均质量: 291.47142
• 单一同位素质量: 291.25621468
• SMILES: C12=C(CC(C(C1)(C)C)CC1(NCCO1)C)CCCC2(C)C
• Canonical SMILES: CC1(NCCO1)CC1CC2=C(CC1(C)C)C(CCC2)(C)C
• InChI: InChI=1S/C19H33NO/c1-17(2)8-6-7-14-11-15(18(3,4)13-16(14)17)12-19(5)20-9-10-21-19/h15,20H,6-13H2,1-5H3
• InChIKey: ZKODVQKHCBTANH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164237808
• PubChem CID: 3581564

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.0587779
• LogD (pH = 7.4): 2.4548259
• Log P: 4.1391034
• 摩尔折射率: 89.1885 cm^3
• 极化性: 35.54369 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds