HCID14012124

14-(Benzyloxy)-14-oxotetradecanoic acid

14-oxo-14-phenylmethoxytetradecanoic acid

C21H32O4348.5 g/mol

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: O=C(O)CCCCCCCCCCCCC(=O)OCc1ccccc1
InChIKey: WGPZNCGIVLHCET-UHFFFAOYSA-N
分子式: C21H32O4
平均分子量: 348.5 g/mol
单同位素质量: 348.2300595

COMPUTED

结构计算性质

已同步

XLogP: 6.1
极性表面积: 63.6 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 16
重原子: 25
形式电荷: 0
复杂度: 348

ALIASES

名称与别名

共 9 条

14-(Benzyloxy)-14-oxotetradecanoic acid100286-82-6MFCD31698132SCHEMBL8375705WGPZNCGIVLHCET-UHFFFAOYSA-N14-benzyloxy-14-oxo-tetradecanoic acid1,14-tetradecanedioic acid monobenzyl esterG69379F570666

REACTIONS

相关反应

6 条

uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05414089

查看

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看

uspto-grants-1999_10 · 10.6084/m9.figshare.5104873.v1 · USRE036359

查看

uspto-grants-1994_08 · 10.6084/m9.figshare.5104873.v1 · US05336782

查看

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

查看