Pentanoic acid, 5-[5-(hydroxymethyl)-2-methylphenoxy]-2,2-dimethyl- | 63257-53-4
Pentanoic acid, 5-[5-(hydroxymethyl)-2-methylphenoxy]-2,2-dimethyl-
63257-53-4
C15H22O4
266.33278
名称和标识符
InChIKey |
QTBNDWGXAYVPOX-UHFFFAOYSA-N |
Inchi |
InChI=1S/C15H22O4/c1-11-5-6-12(10-16)9-13(11)19-8-4-7-15(2,3)14(17)18/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,18) |
SMILES |
CC1=C(C=C(C=C1)CO)OCCCC(C)(C)C(=O)O |
别名信息
- 英文别名 -
- Pentanoic acid, 5-[5-(hydroxymethyl)-2-methylphenoxy]-2,2-dimethyl-
- 5-[5-(hydroxymethyl)-2-methylphenoxy]-2,2-dimethylpentanoic acid
- Gemfibrozil metabolite M1
- 3XR748SU0W
- DTXSID40795903
- UNII-3XR748SU0W
- 5-(5-(Hydroxymethyl)-2-methylphenoxy)-2,2-dimethylpentanoic acid
- 5-[5-(HYDROXYMETHYL)-2-METHYLPHENOXY]-2,2-DIMETHYLPENTANOIC ACID
- Pentanoic acid, 5-(5-(hydroxymethyl)-2-methylphenoxy)-2,2-dimethyl-
- 63257-53-4
物化性质
计算特性
精确分子量 |
266.15180918g/mol |
氢键供体数量 |
2 |
氢键受体数量 |
4 |
可旋转化学键数量 |
7 |
同位素质量 |
266.15180918g/mol |
重原子数量 |
19 |
复杂度 |
288 |
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) |
2.5 |
拓扑分子极性表面积 |
66.8Ų |
Pentanoic acid, 5-[5-(hydroxymethyl)-2-methylphenoxy]-2,2-dimethyl-推荐生产厂家