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

• ChemBase编号: 180589
• 分子式: C17H26O
• 平均质量: 246.38774
• 单一同位素质量: 246.19836545
• SMILES: C12=CCCCC1C1(OC3[C@@H]2CCCC3)CCCC1
• Canonical SMILES: C1CCC2[C@H](C1)C1=CCCCC1C1(O2)CCCC1
• InChI: InChI=1S/C17H26O/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)18-17(15)11-5-6-12-17/h7,14-16H,1-6,8-12H2/t14-,15?,16?/m1/s1
• InChIKey: FAEPWJYGQVWDIC-QQFBHYJXSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164236499
• PubChem CID: 16395010

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.210123
• LogD (pH = 7.4): 4.210123
• Log P: 4.210123
• 摩尔折射率: 74.9405 cm^3
• 极化性: 29.592894 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: Isomers (3:1)
• 分类: Rare Derivatives of Natural Compounds