HCID11063258

5-(Benzyloxy)pentanal

5-phenylmethoxypentanal

C12H16O2192.25 g/molCAS 78999-24-3

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IDENTITY

结构与身份

标准SMILES: O=CCCCCOCc1ccccc1
InChIKey: KDNUJAZVJXKPNI-UHFFFAOYSA-N
分子式: C12H16O2
平均分子量: 192.25 g/mol
单同位素质量: 192.11502975

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 7
重原子: 14
形式电荷: 0
复杂度: 139

ALIASES

名称与别名

共 23 条

5-(BENZYLOXY)PENTANAL78999-24-3DTXSID70453822RefChem:300244DTXCID604046415-phenylmethoxypentanal5-BenzyloxypentanalMFCD09831904Pentanal, 5-(phenylmethoxy)-5-Benzyloxy-pentanal5-(benzyloxy) pentanal7-phenyl-6-oxaheptanal7-phenyl-6-oxaheptan-1-alSCHEMBL713499SCHEMBL787055SCHEMBL15670484KDNUJAZVJXKPNI-UHFFFAOYSA-NDDA99924AKOS006326633AB10127

REACTIONS

参与反应

5 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-1992_01 · 10.6084/m9.figshare.5104873.v1 · US05081287

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uspto-grants-1992_01 · 10.6084/m9.figshare.5104873.v1 · US05081287

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uspto-grants-2014_12 · 10.6084/m9.figshare.5104873.v1 · US08921568B2

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