Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- C=CC1CCC(C(=O)OC)CC1
- InChIKey
- SJYTWNKXWHNQKI-UHFFFAOYSA-N
- 分子式
- C10H16O2
- 平均分子量
- 168.23 g/mol
- 单同位素质量
- 168.11502975
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 26.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 3
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 167
ALIASES
名称与别名
196399-22-1(1r,4r)-Methyl 4-vinylcyclohexanecarboxylate4-vinylcyclohexyl formic acid methyl estermethyl 4-vinylcyclohexane-carboxylatemethyl trans-4-vinylcyclohexane carboxylatemethyl 4-ethenylcyclohexane-1-carboxylate909111-77-9SCHEMBL1512468SCHEMBL1512798SJYTWNKXWHNQKI-KYZUINATSA-NSJYTWNKXWHNQKI-UHFFFAOYSA-NMETHYL REL-(1R,4R)-4-VINYLCYCLOHEXANE-1-CARBOXYLATEmethyl 4-vinylcyclohexanecarboxylatemethyl 4-vinylcyclohexane carboxylateMFCD32202659AT50374methyl trans-4-vinylcyclohexanecarboxylateDB-125266DB-221229H29080
REACTIONS
参与反应
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