2-Cyclohexen-1-one,2-hydroxy-3-methyl-6-(1-methylethyl)-
- 中文别名：地奥酚
- 中文释义：2-羟基-6-(异丙基)-3-甲基环己-2-烯-1-酮;地奥酚
- 英文别名：diosphenol;
2-hydroxy-3-methyl-6-isopropyl-2-cyclohexen-1-one;
Buchu camphor;
1-p-menthen-2-ol-3-one;
2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one;
Buccocamphor;
Diosphenol;
2-hydroxy-6-(isopropyl)-3-methylcyclohex-2-en-1-one;
2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one;
2-hydroxy-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one;
2-Cyclohexen-1-one,2-hydroxy-3-methyl-6-(1-methylethyl);
2-hydroxy-1-p-menthen-3-one;
Barosma camphor;
2-Hydroxypiperitone;
2-hydroxy-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-one;
2-hydroxy-3-methyl-6-(1-methylethyl)-2-cyclohexenone
- CAS No.：490-03-9
- 分子式：C10H16O2
- 分子量：168.23284
- 精确分子量：168.11500
- PSA：37.30000
- InChI：The Key: QSIMLPCPCXVYDD-UHFFFAOYSA-N
- 分子结构式：
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:2
2.氢键供体数量:1
3.氢键受体数量:2
4.可旋转化学键数量:1
5.互变异构体数量:30
6.拓扑分子极性表面积:37.3
7.重原子数量:12
8.表面电荷:0
9.复杂度:226
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:1
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
