HCID357781

Ethyl 6-hydroxyhexanoate

C8H16O3160.21 g/molCAS 5299-60-5

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CCCCCO
InChIKey: HYXRUZUPCFVWAH-UHFFFAOYSA-N
分子式: C8H16O3
平均分子量: 160.21 g/mol
单同位素质量: 160.10994437

COMPUTED

结构计算性质

等待补全

XLogP: 0.8
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 7
重原子: 11
形式电荷: 0
复杂度: 102

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 37 条

Ethyl 6-hydroxyhexanoate5299-60-5DTXSID60326814RefChem:138846DTXCID50277927962-755-0Hexanoic acid, 6-hydroxy-, ethyl esterMFCD000756016-hydroxyHexanoic acid ethyl ester6-hydroxy-hexanoic acid ethyl ester5-Ethoxycarbonylpentan-1-ol; 6-Hydroxyhexanoic Acid Ethyl Ester; Ethyl 6-Hydroxycaproate; Ethyl epsilon-Hydroxycaproate; NSC 617304NSC617304ethyl-6-hydroxyhexanoateethyl 6-hydroxy-hexanoate5-ethoxycarbonyl-1-pentanolSCHEMBL247007SCHEMBL632459SCHEMBL632460orb2664776orb2900377

REACTIONS

参与反应

46 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07084114B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07084121B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858580B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713452B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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

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uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642576B2

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