HCID19004635

Methyl 1-methyl-4-methylidenecyclohexane-1-carboxylate

C10H16O2168.23 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: C=C1CCC(C)(C(=O)OC)CC1
InChIKey: XPTIVUWZBIFLLD-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

已同步

XLogP: 1.9
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 196

ALIASES

名称与别名

共 8 条

147905-95-1methyl 1-methyl-4-methylidenecyclohexane-1-carboxylateMethyl 1-methyl-4-methylenecyclohexane-1-carboxylateSCHEMBL9043939XPTIVUWZBIFLLD-UHFFFAOYSA-NAT54649EN300-26983404methyl 1-methyl-4-methylene-1-cyclohexanecarboxylate

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看

uspto-grants-1994_09 · 10.6084/m9.figshare.5104873.v1 · US05344845

查看

uspto-grants-1994_09 · 10.6084/m9.figshare.5104873.v1 · US05344845

查看