(7R)-5-chloro-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane

• ChemBase编号: 83685
• 分子式: C19H31Cl
• 平均质量: 294.90244
• 单一同位素质量: 294.21142867
• SMILES: ClC1CCC2(C3C(C4CCCC4(CC3)C)CC[C@@H]2C1)C
• Canonical SMILES: ClC1CCC2([C@@H](C1)CCC1C2CCC2(C1CCC2)C)C
• InChI: InChI=1S/C19H31Cl/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17H,3-12H2,1-2H3/t13-,14?,15?,16?,17?,18?,19?/m1/s1
• InChIKey: GBGACQPAYVDHJA-MGLLRRBKSA-N

名称和登记号

名称

• IUPAC标准名: (7R)-5-chloro-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane
• IUPAC传统名: (7R)-5-chloro-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane
• 别名: 3-chloro-10,13-dimethylperhydrocyclopenta[a]phenanthrene

登记号

• MDL号: MFCD00831378
• PubChem SID: 162070802
• PubChem CID: 44118981

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.78916
• LogD (pH = 7.4): 5.78916
• Log P: 5.78916
• 摩尔折射率: 86.1667 cm^3
• 极化性: 34.631844 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false