HCID69651

Di-tert-butyl oxalate

ditert-butyl oxalate

C10H18O4202.25 g/molCAS 691-64-5

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)C(=O)OC(C)(C)C
InChIKey: CIYGMWIAXRMHQS-UHFFFAOYSA-N
分子式: C10H18O4
平均分子量: 202.25 g/mol
单同位素质量: 202.12050905

COMPUTED

结构计算性质

等待补全

XLogP: 2.4
极性表面积: 52.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 5
重原子: 14
形式电荷: 0
复杂度: 203

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 32 条

Di-tert-butyl oxalate691-64-5EINECS 211-723-8DTXSID202191571,2-Bis(1,1-dimethylethyl) ethanedioateRefChem:586110DTXCID40141648211-723-8di-tert-butyloxalateditert-butyl oxalateMFCD00008806Ethanedioic acid, bis(1,1-dimethylethyl) esteroxalic acid di-tert-butyl esterdi-t-butyl oxalateGDT3TXT9FWDi-tert-butyl ethanedioateSCHEMBL78520Di-tert-butyl oxalate, 99%Bis(1,1-dimethylethyl) oxalateOxalic acid, di-tert-butyl ester

REACTIONS

参与反应

36 条

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

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uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07531535B2

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uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07531535B2

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uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06949550B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691846B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691846B2

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

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

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