HCID86050

2H-Pyran, tetrahydro-2-(7-octyn-1-yloxy)-

2-oct-7-ynoxyoxane

C13H22O2210.31 g/molCAS 158576-21-7

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IDENTITY

结构与身份

标准SMILES: C#CCCCCCCOC1CCCCO1
InChIKey: NNZDDWHYRFZHLF-UHFFFAOYSA-N
分子式: C13H22O2
平均分子量: 210.31 g/mol
单同位素质量: 210.16197994

COMPUTED

结构计算性质

等待补全

XLogP: 3.3
极性表面积: 18.5 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 7
重原子: 15
形式电荷: 0
复杂度: 192

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 26 条

16695-31-12H-Pyran, tetrahydro-2-(7-octyn-1-yloxy)-EINECS 240-740-32H-Pyran, tetrahydro-2-(7-octynyloxy)-DTXSID60884929RefChem:484364DTXCID108762332-oct-7-ynoxyoxane2-(Oct-7-yn-1-yloxy)tetrahydropyranTetrahydro-2-(7-octyn-1-yloxy)-2H-pyranTetrahydro-2-(7-octynyloxy)-2H-pyran2-[(Oct-7-yn-1-yl)oxy]oxane2-(7-Octyn-1-yloxy)tetrahydro-2H-pyran158576-21-7SCHEMBL6819838DTXSID702758298-(tetrahydropyranyloxy)-1-octyne1-(tetrahydropyranyloxy)-oct-7-yneMFCD33405019AT23229

REACTIONS

参与反应

6 条

uspto-grants-2002_04 · 10.6084/m9.figshare.5104873.v1 · US06365350B1

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uspto-grants-1992_06 · 10.6084/m9.figshare.5104873.v1 · US05120843

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

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uspto-grants-2001_07 · 10.6084/m9.figshare.5104873.v1 · US06265569B1

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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

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