(1S,2S,5Z,10R,11S,14S,15S)-5-hydrazinylidene-2,4,15-trimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-ol

• ChemBase编号: 210888
• 分子式: C20H34N2O
• 平均质量: 318.49676
• 单一同位素质量: 318.26711372
• SMILES: [C@@]12([C@@H]3[C@H]([C@H]4[C@](CC3)([C@H](CC4)O)C)CCC2C/C(=N/N)/C(C1)C)C
• Canonical SMILES: N/N=C\1/CC2CC[C@@H]3[C@@H]([C@]2(CC1C)C)CC[C@]1([C@H]3CC[C@@H]1O)C
• InChI: InChI=1S/C20H34N2O/c1-12-11-20(3)13(10-17(12)22-21)4-5-14-15-6-7-18(23)19(15,2)9-8-16(14)20/h12-16,18,23H,4-11,21H2,1-3H3/b22-17-/t12?,13?,14-,15-,16-,18-,19-,20-/m0/s1
• InChIKey: WYIOTJMJDQSAEQ-MYOSOXCVSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2S,5Z,10R,11S,14S,15S)-5-hydrazinylidene-2,4,15-trimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-ol
• IUPAC传统名: (1S,2S,5Z,10R,11S,14S,15S)-5-hydrazinylidene-2,4,15-trimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-ol

登记号

• PubChem SID: 164266798
• PubChem CID: 16403538

理论计算性质

• Acid pKa: 19.377705
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.6455023
• LogD (pH = 7.4): 3.670107
• Log P: 3.6704297
• 摩尔折射率: 94.7188 cm^3
• 极化性: 37.429516 Å^3
• 极化表面积: 58.61 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds