(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylprop-2-enoate

• ChemBase编号: 287291
• 分子式: C14H22O2
• 平均质量: 222.32328
• 单一同位素质量: 222.16197994
• SMILES: CC(=C)C(=O)O[C@H]1[C@]2(C(C)(C)[C@H](CC2)C1)C
• Canonical SMILES: CC(=C)C(=O)O[C@@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C
• InChI: InChI=1S/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,14+/m1/s1
• InChIKey: IAXXETNIOYFMLW-GYSYKLTISA-N

名称和登记号

名称

• IUPAC标准名: (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylprop-2-enoate
• IUPAC传统名: (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylprop-2-enoate
• 别名: (1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl methacrylate

登记号

• CAS号: 7534-94-3
• MDL号: MFCD00081070
• PubChem SID: 180672822
• PubChem CID: 904857

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.8157601
• LogD (pH = 7.4): 3.8157601
• Log P: 3.8157601
• 摩尔折射率: 63.4706 cm^3
• 极化性: 25.580217 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%