Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 1-methylethyl ester | 5458-64-0
Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 1-methylethyl ester
5458-64-0
C13H22O2
210.31258
名称和标识符
InChIKey |
KTDHAAMLKPAGNH-UHFFFAOYSA-N |
Inchi |
InChI=1S/C13H22O2/c1-8(2)7-10-11(13(10,5)6)12(14)15-9(3)4/h7,9-11H,1-6H3 |
SMILES |
CC(C)OC(=O)C1C(C1(C)C)C=C(C)C |
别名信息
- 英文别名 -
- Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 1-methylethyl ester
- isopropyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
- propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- Chrysanthemic acid, isopropyl ester
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 1-methylethyl ester
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 1-methylethyl ester (9CI)
- Isopropyl chrysanthemate
- NSC 23746
- propan-2-yl 2,2-dim
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 1-methylethyl ester
- Isopropyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
- SCHEMBL294024
- Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methyl-1-propenyl)-, 1-methylethyl ester
- NSC23746
- NS00044105
- Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methylpropenyl)-, isopropyl ester
- 5458-64-0
- NSC-23746
- isopropyl chrysanthemate
- DTXSID20884167
- EINECS 226-722-8
物化性质
实验特性
LogP |
3.17640 |
PSA |
26.3 |
折射率 |
1.503 |
沸点 |
240.5°Cat760mmHg |
闪点 |
90.5°C |
密度 |
0.978 |
计算特性
精确分子量 |
210.16206 |
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 |
210.162 |
重原子数量 |
15 |
复杂度 |
283 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
2 |
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 |
26.3Ų |
Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 1-methylethyl ester推荐生产厂家