8-氧杂三环[4.3.0.07,9]壬-1,3,5-三烯,7-甲氧基-
- 中文名称:
- 8-氧杂三环[4.3.0.07,9]壬-1,3,5-三烯,7-甲氧基-
- 中文别名:
- 8-氧杂三环[4.3.0.07,9]壬-1,3,5-三烯,7-甲氧基-;
(E)-2-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
- 英文名称:
- 1-Penten-3-one,2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
- 英文别名:
- (E)-2-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one;
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-1-penten-3-one;
4-Methyl-5-<2,6,6-trimethyl-cyclohexen-(2)-yl>-penten-(4)-on-(3);
2-methyl-1-(2,6,6-trimethyl-cyclohex-2-enyl)-pent-1-en-3-one;
1-Penten-3-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl;
Dimethylionone;
2-Methyl-1-(2,6,6-trimethyl-cyclohex-2-enyl)-pent-1-en-3-on;
1-Penten-3-one,2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)
- CAS No.:
- 72117-72-7
- 分 子 式:
-
C15H24O
- 分 子 量:
- 220.39
- 精确分子量:
- 220.18300
- PSA:
- 17.07000
- InChI:
- The Key: UNAJREJGSQDJGU-UHFFFAOYSA-N3
- 安全术语:
- A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
- 分子结构式:
-

- SDS:
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8-氧杂三环[4.3.0.07,9]壬-1,3,5-三烯,7-甲氧基- 物化性质
- 密度:
- 0.924g/cm3
- 沸点:
- 302.7ºC at 760 mmHg
- 闪点:
- 131.7ºC
- 折射率:
- 1.505
8-氧杂三环[4.3.0.07,9]壬-1,3,5-三烯,7-甲氧基- 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):3.8
2.氢键供体数量:0
3.氢键受体数量:1
4.可旋转化学键数量:3
5.互变异构体数量:12
6.拓扑分子极性表面积:17.1
7.重原子数量:16
8.表面电荷:0
9.复杂度:331
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:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
8-氧杂三环[4.3.0.07,9]壬-1,3,5-三烯,7-甲氧基- 上游产品