Ethanone,1-[(5S)-4,5-dihydro-2-methyl-5-(1Z)-1-propen-1-yl-3-furanyl]- | 185317-34-4
Ethanone,1-[(5S)-4,5-dihydro-2-methyl-5-(1Z)-1-propen-1-yl-3-furanyl]-
185317-34-4
C10H14O2
166.21700
名称和标识符
InChIKey |
RTAZVRNNHKEHFZ-XNPJLODASA-N |
Inchi |
InChI=1S/C10H14O2/c1-4-5-9-6-10(7(2)11)8(3)12-9/h4-5,9H,6H2,1-3H3/b5-4+/t9-/m1/s1 |
SMILES |
C/C=C/[C@@H]1CC(C(C)=O)=C(C)O1 |
别名信息
- 英文别名 -
- Ethanone,1-[(5S)-4,5-dihydro-2-methyl-5-(1Z)-1-propen-1-yl-3-furanyl]-
- Ethanone, 1-[4,5-dihydro-2-methyl-5-(1-propenyl)-3-furanyl]-, [S-(Z)]- (9CI)
- Ethanone, 1-[4,5-dihydro-2-methyl-5-(1-propenyl)-3-furanyl]-, [S-(Z)]-(9CI)
- Ethanone, 1-[4,5-dihydro-2-methyl-5-(1-propenyl)-3-furanyl]-, [S-(Z)]-(9CI)
- 1-[(2S)-5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone
- 1-[(2S)-5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-4-yl]ethanone
- Ethanone,1-[4,5-dihydro-2-methyl-5-(1-propenyl)-3-furanyl]-,[s-(Z)]-(9ci)
- Ethanone,1-[4,5-dihydro-2-methyl-5-(1-propenyl)-3-furanyl]-,[s-(Z)]-(9ci)
- 185317-34-4
- 185317-34-4
物化性质
实验特性
LogP |
2.21440 |
PSA |
26.30000 |
计算特性
精确分子量 |
166.09900 |
氢键供体数量 |
0 |
氢键受体数量 |
2 |
可旋转化学键数量 |
2 |
同位素质量 |
166.099 |
重原子数量 |
12 |
复杂度 |
249 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
1 |
不确定原子立构中心数量 |
0 |
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) |
1.5 |
拓扑分子极性表面积 |
26.3A^2 |
Ethanone,1-[(5S)-4,5-dihydro-2-methyl-5-(1Z)-1-propen-1-yl-3-furanyl]-推荐生产厂家