2-环戊烯-1-酮,2-甲氧基-3-甲基- | 14189-85-6
2-环戊烯-1-酮,2-甲氧基-3-甲基-
2-Cyclopenten-1-one,2-methoxy-3-methyl-
14189-85-6
C7H10O2
126.1531
名称和标识符
InChIKey |
GTEGQQAMGYNDKS-UHFFFAOYSA-N |
Inchi |
InChI=1S/C7H10O2/c1-5-3-4-6(8)7(5)9-2/h3-4H2,1-2H3 |
SMILES |
COC1=C(C)CCC1=O |
别名信息
- 英文别名 -
- 2-Cyclopenten-1-one,2-methoxy-3-methyl-
- 2-methoxy-3-methylcyclopent-2-en-1-one
- 2-methoxy-3-methyl-2-cyclopenten-1-one
- 2-Methoxy-3-methyl-cyclopent-2-enon
- 2-methoxy-3-methylcyclopent-2-enone
- 2-methoxy-3-methyl-cyclopent-2-enone
- 2-methoxy-3-methylcyclopentenone
- AC1L373A
- AR-1E3046
- Cyclotene monomethyl ether
- EINECS 238-042-9
- NSC177460
- DTXSID5065724
- DTXSID5065724
- DTXSID5065724
- GTEGQQAMGYNDKS-UHFFFAOYSA-N
- GTEGQQAMGYNDKS-UHFFFAOYSA-N
- GTEGQQAMGYNDKS-UHFFFAOYSA-N
- 2-Methoxy-3-methylcyclopent-2-en-1-one
- 2-Methoxy-3-methylcyclopent-2-en-1-one
- 2-Methoxy-3-methylcyclopent-2-en-1-one
- 2-Methoxy-3-methyl-2-cyclopentenone
- 2-Methoxy-3-methyl-2-cyclopentenone
- 2-Methoxy-3-methyl-2-cyclopentenone
- NS00024604
- NS00024604
- NS00024604
- Q27282298
- Q27282298
- Q27282298
- KK59159647
- KK59159647
- KK59159647
- UNII-KK59159647
- UNII-KK59159647
- UNII-KK59159647
- 2-methoxy-3-methyl-cyclopentenone
- 2-methoxy-3-methyl-cyclopentenone
- 2-methoxy-3-methyl-cyclopentenone
- NSC-177460
- NSC-177460
- NSC-177460
- NSC 177460
- NSC 177460
- NSC 177460
- 14189-85-6
- 14189-85-6
- 14189-85-6
- SCHEMBL10454572
- SCHEMBL10454572
- SCHEMBL10454572
- 2-Cyclopenten-1-one, 2-methoxy-3-methyl-
- 2-Cyclopenten-1-one, 2-methoxy-3-methyl-
- 2-Cyclopenten-1-one, 2-methoxy-3-methyl-
- 2-Methoxy-3-methyl-2-cyclopenten-1-one
- 2-Methoxy-3-methyl-2-cyclopenten-1-one
- 2-Methoxy-3-methyl-2-cyclopenten-1-one
物化性质
实验特性
LogP |
1.26970 |
PSA |
26.3 |
折射率 |
1.464 |
沸点 |
221.5°Cat760mmHg |
闪点 |
95.5°C |
密度 |
1.03 |
计算特性
精确分子量 |
126.0681 |
氢键供体数量 |
0 |
氢键受体数量 |
2 |
可旋转化学键数量 |
1 |
同位素质量 |
126.068 |
重原子数量 |
9 |
复杂度 |
168 |
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 |
0 |
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) |
0.6 |
拓扑分子极性表面积 |
26.3A^2 |