HCID101077

3,3-Dimethylbutane-1,2-diol

C6H14O2118.17 g/molCAS 59562-82-2

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)C(O)CO
InChIKey: YVHAOWGRHCPODY-UHFFFAOYSA-N
分子式: C6H14O2
平均分子量: 118.17 g/mol
单同位素质量: 118.09937969

COMPUTED

结构计算性质

等待补全

XLogP: 0.6
极性表面积: 40.5 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 2
重原子: 8
形式电荷: 0
复杂度: 63

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 24 条

3,3-Dimethyl-1,2-butanediol59562-82-23,3-Dimethylbutane-1,2-diol1,2-Butanediol, 3,3-dimethyl-EINECS 261-805-2DTXSID50974969RefChem:485556DTXCID801402384261-805-2InChI=1/C6H14O2/c1-6(2,3)5(8)4-7/h5,7-8H,4H2,1-3H(s)-3,3-dimethylbutane-1,2-diolSCHEMBL455623,3-dimethyl 1,2-butanediolSCHEMBL2884611SCHEMBL2951510rac-3,3-Dimethyl-1,2-butanediolMFCD00010735AKOS015916591FD05453DA-04567

REACTIONS

参与反应

6 条

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 (5/10) · 10.1039/C8SC04228D

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uspto-grants-2016_08 · 10.6084/m9.figshare.5104873.v1 · US09403810B2

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uspto-grants-2001_09 · 10.6084/m9.figshare.5104873.v1 · US06294585B1

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uspto-grants-1999_11 · 10.6084/m9.figshare.5104873.v1 · US05990177

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uspto-grants-2000_08 · 10.6084/m9.figshare.5104873.v1 · US06110975

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