InChIKey | MPYYVGIJHREDBO-UHFFFAOYSA-N |
Inchi | 1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3 |
SMILES | C(OC1CC2C(C)(C)C1(C)CC2)(=O)CC(C)C |
LogP | 3.79050 |
PSA | 26.30000 |
折射率 | 1.46 |
沸点 | 255-260 ºC |
闪点 | >110 ºC |
FEMA | 2165 | BORNYL ISOVALERATE (ENDO-) |
颜色与性状 | 无色淡黄色 液体 |
比旋光度 | -32.5 º (neat) |
密度 | 0.949 |
精确分子量 | 238.19300 |
氢键供体数量 | 0 |
氢键受体数量 | 2 |
可旋转化学键数量 | 4 |
同位素质量 | 238.193 |
重原子数量 | 17 |
复杂度 | 319 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 3 |
不确定原子立构中心数量 | 0 |
确定化学键立构中心数量 | 0 |
不确定化学键立构中心数量 | 0 |
共价键单元数量 | 1 |
疏水参数计算参考值(XlogP) | 4.6 |
拓扑分子极性表面积 | 26.3A^2 |
RTECS号 | EK7902550 |
WGK Germany | 2 |
EINECS | 200-966-5 |
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SMILES
CC(C)CC(=O)O[C@H]1[C@]2(C)C(C)(C)C(CC2)C1