HCID20347

3-Methyl-1-hexyn-3-ol

3-methylhex-1-yn-3-ol

C7H12O112.17 g/molCAS 4339-05-3

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IDENTITY

结构与身份

标准SMILES: C#CC(C)(O)CCC
InChIKey: DTGUZRPEDLHAAO-UHFFFAOYSA-N
分子式: C7H12O
平均分子量: 112.17 g/mol
单同位素质量: 112.088815

COMPUTED

结构计算性质

等待补全

XLogP: 1.1
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 3
重原子: 8
形式电荷: 0
复杂度: 109

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 25 条

3-Methyl-1-hexyn-3-ol1-HEXYN-3-OL, 3-METHYL-EthynylmethylpropylcarbinolMethylpropylethynylcarbinol3-Methyl-1-hexyne-3-olNSC 9470BRN 17404244-01-00-02252 (Beilstein Handbook Reference)RefChem:94699DTGUZRPEDLHAAO-UHFFFAOYSA-N3-methylhex-1-yn-3-ol4339-05-33-methyl-hex-1-yn-3-ol3-Methyl-hexin-(1)-ol-(3)NSC94703-Methyl-hexin-(1)-ol-(3) [German]SCHEMBL236550DTXSID401032189NSC-9470MFCD00014393

REACTIONS