HCID3015987

4-Methyl-1-octanol

4-methyloctan-1-ol

C9H20O144.25 g/molCAS 38514-03-3

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCCCC(C)CCCO
InChIKey: MWWKESKJRHQWEF-UHFFFAOYSA-N
分子式: C9H20O
平均分子量: 144.25 g/mol
单同位素质量: 144.15141526

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 6
重原子: 10
形式电荷: 0
复杂度: 61

ALIASES

名称与别名

共 17 条

4-Methyloctan-1-ol38514-03-34-Methyl-1-octanolDTXSID50959372RefChem:1071062DTXCID301387252253-976-7EINECS 253-976-74-methyloctanolhexane-2-propanolstarbld0034292SCHEMBL380951SCHEMBL978822SCHEMBL1856668CHEBI:178398LMFA05000129NS00058093

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看

uspto-grants-1989_05 · 10.6084/m9.figshare.5104873.v1 · US04831143

查看