(2S,7S,14Z,15S)-14-hydrazinylidene-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-ol

• ChemBase编号: 187069
• 分子式: C19H32N2O
• 平均质量: 304.47018
• 单一同位素质量: 304.25146365
• SMILES: [C@]12(C3C(C4[C@@](/C(=N\N)/CC4)(CC3)C)CC[C@H]1CC(CC2)O)C
• Canonical SMILES: N/N=C\1/CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)O
• InChI: InChI=1S/C19H32N2O/c1-18-9-7-13(22)11-12(18)3-4-14-15-5-6-17(21-20)19(15,2)10-8-16(14)18/h12-16,22H,3-11,20H2,1-2H3/b21-17-/t12-,13?,14?,15?,16?,18-,19-/m0/s1
• InChIKey: JMBJWQVSQZGGFA-NNKGNNAESA-N

名称和登记号

名称

• IUPAC标准名: (2S,7S,14Z,15S)-14-hydrazinylidene-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-5-ol
• IUPAC传统名: (2S,7S,14Z,15S)-14-hydrazinylidene-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-5-ol

登记号

• PubChem SID: 164242979
• PubChem CID: 16396729

理论计算性质

• Acid pKa: 18.296396
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.4618278
• LogD (pH = 7.4): 3.483191
• Log P: 3.4834704
• 摩尔折射率: 90.3501 cm^3
• 极化性: 35.58561 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