HCID8298

3,3,5-Trimethylcyclohexanol

3,3,5-trimethylcyclohexan-1-ol

C9H18O142.24 g/molCAS 116-02-9

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IDENTITY

结构与身份

标准SMILES: CC1CC(O)CC(C)(C)C1
InChIKey: BRRVXFOKWJKTGG-UHFFFAOYSA-N
分子式: C9H18O
平均分子量: 142.24 g/mol
单同位素质量: 142.13576519

COMPUTED

结构计算性质

等待补全

XLogP: 2.6
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 118

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 75 条

3,3,5-TRIMETHYLCYCLOHEXANOL116-02-9HomomentholCyclonolCyclohexanol, 3,3,5-trimethyl-Isophorol, dihydro-3,3,5-Trimethyl-1-cyclohexanol1-Methyl-3-dimethylcyclohexanol-53,5,5-TrimethylcyclohexanolDTXSID904181508CL3G94GHDTXCID7021815CHEBI:59065NSC-4008RefChem:485183204-122-73,3,5-trimethylcyclohexan-1-oldihydroisophorolNSC 4008MFCD00019378

REACTIONS

参与反应

14 条

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

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08883829B2

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uspto-grants-1992_07 · 10.6084/m9.figshare.5104873.v1 · US05134157

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

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uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08969629B2

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

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uspto-grants-1994_05 · 10.6084/m9.figshare.5104873.v1 · US05310757

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uspto-grants-1994_05 · 10.6084/m9.figshare.5104873.v1 · US05310757

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