(10'R)-9'-oxaspiro[cyclohexane-1,8'-tricyclo[8.4.0.02,7]tetradecan]-2'-ene

• ChemBase编号: 185445
• 分子式: C18H28O
• 平均质量: 260.41432
• 单一同位素质量: 260.21401552
• SMILES: C12=CCCCC1C1(O[C@H]3C2CCCC3)CCCCC1
• Canonical SMILES: C1CCC2(CC1)O[C@@H]1CCCCC1C1=CCCCC21
• InChI: InChI=1S/C18H28O/c1-6-12-18(13-7-1)16-10-4-2-8-14(16)15-9-3-5-11-17(15)19-18/h8,15-17H,1-7,9-13H2/t15?,16?,17-/m1/s1
• InChIKey: IMFLUMXQDKOHDN-OFLPRAFFSA-N

名称和登记号

名称

• IUPAC标准名: (10'R)-9'-oxaspiro[cyclohexane-1,8'-tricyclo[8.4.0.0^2,^7]tetradecan]-2'-ene
• IUPAC传统名: (10'R)-9'-oxaspiro[cyclohexane-1,8'-tricyclo[8.4.0.0^2,^7]tetradecan]-2'-ene

登记号

• PubChem SID: 164241355
• PubChem CID: 16396293

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.6546917
• LogD (pH = 7.4): 4.6546917
• Log P: 4.6546917
• 摩尔折射率: 79.5415 cm^3
• 极化性: 31.43845 Å^3
• 极化表面积: 9.23 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

• 简要说明: 4:1,Diastereomers
• 分类: Derivatives & analogs of Natural Compounds