1,7-dibromo-4-(dibromomethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol

• ChemBase编号: 79725
• 分子式: C10H14Br4O
• 平均质量: 469.83356
• 单一同位素质量: 465.77781307
• SMILES: BrC12C(C(C(C1O)(C)C)(CC2)C(Br)Br)Br
• Canonical SMILES: BrC(C12CCC(C1Br)(C(C2(C)C)O)Br)Br
• InChI: InChI=1S/C10H14Br4O/c1-8(2)6(15)10(14)4-3-9(8,5(10)11)7(12)13/h5-7,15H,3-4H2,1-2H3
• InChIKey: MXWOGZXJHDUNLB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,7-dibromo-4-(dibromomethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
• IUPAC传统名: 1,7-dibromo-4-(dibromomethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
• 别名: 1,7-dibromo-4-(dibromomethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol

登记号

• MDL号: MFCD00702841
• PubChem SID: 162044488
• PubChem CID: 2775363

理论计算性质

• Acid pKa: 13.602041
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.33644
• LogD (pH = 7.4): 3.3364398
• Log P: 3.33644
• 摩尔折射率: 75.4779 cm^3
• 极化性: 30.159142 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true