2-戊烯-1-醇,5-(3,3-二甲基-2-环氧乙烷基)-3-甲基-1-乙酸酯 | 37715-31-4
2-戊烯-1-醇,5-(3,3-二甲基-2-环氧乙烷基)-3-甲基-1-乙酸酯
2-Penten-1-ol,5-(3,3-dimethyl-2-oxiranyl)-3-methyl-, 1-acetate
37715-31-4
C12H20O3
212.2854
名称和标识符
InChIKey |
ICJOOVLSDYCSCJ-VQHVLOKHSA-N |
Inchi |
InChI=1S/C12H20O3/c1-9(7-8-14-10(2)13)5-6-11-12(3,4)15-11/h7,11H,5-6,8H2,1-4H3/b9-7+ |
SMILES |
CC(OC/C=C(/CCC1OC1(C)C)\C)=O |
别名信息
- 英文别名 -
- 2-Penten-1-ol,5-(3,3-dimethyl-2-oxiranyl)-3-methyl-, 1-acetate
- [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl] acetate
- (2E)-5-(3,3-dimethyloxiranyl)-3-methylpent-2-enyl acetate
- (E)-3,7-Dimethyl
- (E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl acetate
- 1-methoxy-4-((3E,7E)-4,8,10-trimethylundeca-3,7,9-trienyl)benzene
- 3-Methyl-5-(3,3-dimethyloxiranyl)-2-pentene-1-ol acetate
- 6,7-Epoxy-3,7-dimethyl-2-octene1-ol acetate
- Acetic acid 3-methyl-5-(3,3-dimethyloxiranyl)-2-pentenyl ester
- epoxygeranyl acetate
- trans-6,7-epoxy-3,7-dimethyl-2-octenyl acetate
- 2-Penten-1-ol, 5-(3,3-dimethyl-2-oxiranyl)-3-methyl-, 1-acetate, (2E)-
- AKOS015905916
- 6,7-epoxygeranyl acetate
- 5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate
- NSC 165755
- E72153
- [(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl] acetate
- EINECS 253-637-3
- 23519-09-7
- NSC-165755
- 37715-31-4
- WS-03122
- SCHEMBL5574348
- (E)-5-(3,3-Dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl acetate
- SCHEMBL5573445
- NSC165755
- starbld0007405
物化性质
实验特性
计算特性
精确分子量 |
212.1413 |
氢键供体数量 |
0 |
氢键受体数量 |
3 |
可旋转化学键数量 |
6 |
同位素质量 |
212.14124450g/mol |
重原子数量 |
15 |
复杂度 |
266 |
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 |
1 |
确定化学键立构中心数量 |
1 |
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) |
2.2 |
拓扑分子极性表面积 |
38.8Ų |
2-戊烯-1-醇,5-(3,3-二甲基-2-环氧乙烷基)-3-甲基-1-乙酸酯推荐生产厂家