HRID667208
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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结构与身份
- 标准SMILES
- CCCCCC=CCC=CCC=CCCCCCO
- InChIKey
- WFYSUQMCIPGKKK-UHFFFAOYSA-N
- 分子式
- C18H32O
- 平均分子量
- 264.4 g/mol
- 单同位素质量
- 264.24531564
COMPUTED
结构计算性质
- XLogP
- 6.1
- 极性表面积
- 20.2 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 13
- 重原子
- 19
- 形式电荷
- 0
- 复杂度
- 238
ALIASES
名称与别名
octadeca-6,9,12-trien-1-ol56630-94-56,9,12-Octadecatrienol24149-05-1SCHEMBL1739871SCHEMBL1739878DTXSID60972072DB-325472H37257
REACTIONS
参与反应
HRID817096
Test data from https://doi.org/10.1039/C8SC04228D
作为反应物
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看HRID1116147
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看