19043-02-8 ((CYCLOHEXANOL, 2-METHYL-, (1R,2S)-)

快速询单

结构式：

CYCLOHEXANOL, 2-METHYL-, (1R,2S)-MOL文件

CAS号：

19043-02-8

英文名称：

CYCLOHEXANOL, 2-METHYL-, (1R,2S)-

分子式：

C₇H₁₄O

分子量：

114.185462474823

CYCLOHEXANOL, 2-METHYL-, (1R,2S)-(19043-02-8)名称与标识符

名称

英文别名：

CYCLOHEXANOL, 2-METHYL-, (1R,2S)-;BRN 1847535;7443-52-9;NSC244887;EN300-20492;2-Methylcyclohexyl alcohol;NSC75845;2-methyl-cyclohexan-1-ol;2-Methylhexalin;SB83998;NS00004840;NSC-244887;(1R, 2S)-2-Methylcyclohexanol;SB83834;Cyclohexanol, 2-methyl-;EC 209-512-0;2-hydroxy-1-methylcyclohexane;615-39-4;NSC-245854;1-Methyl-2-cyclohexanol;DB-053195;M0194;DB-055880;FM167310;AKOS016843913;NSC 75845;2-METHYLCYCLOHEXANOL;CHEMBL1946181;EINECS 209-512-0;SCHEMBL182659;NSC100902;NSC245854;2-Methyl-1-cyclohexanol;Cyclohexanol, 2-methyl-, trans-(+-)-;NSC-100902;MFCD00001443;DB-055879;2-Methyl-cyclohexanol;cis-2-Methylcyclohexanol;AI3-01177;trans-2-Methylcyclohexanol;NSC-75845;2-Methylcyclohexanol, cis + trans;3-06-00-00063 (Beilstein Handbook Reference);Hexahydro-o-cresol;Z104478402;CS-0239061;o-Methylcyclohexanol;Cyclohexanol, o-methyl-;7443-70-1;(1R,2S)-2-methylcyclohexanol;2-methylcyclohexan-1-ol;Cyclohexanol, 2-methyl-, trans-(.+/-.)-;AKOS000119554;STR09785;583-59-5;DTXSID90862235;19043-02-8;

标识符

InChIKey：

NDVWOBYBJYUSMF-NKWVEPMBSA-N

Inchi：

1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7+/m0/s1

SMILES：

[C@@H]1(O)CCCC[C@@H]1C

CYCLOHEXANOL, 2-METHYL-, (1R,2S)-(19043-02-8)物化性质

实验特性

LogP : 1.84

计算特性

精确分子量 : 114.104465066Da
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 114.104465066Da
重原子数量 : 8
复杂度 : 70.8
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 2
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.8
拓扑分子极性表面积 : 20.2Å²

CYCLOHEXANOL, 2-METHYL-, (1R,2S)-(19043-02-8)相关文献

1. Mapping reactivities of aromatic models with a lignin disassembly catalyst. Steps toward controlling product selectivity
Christopher M. Bernt,Giovanni Bottari,Jacob A. Barrett,Susannah L. Scott,Katalin Barta,Peter C. Ford Catal. Sci. Technol. 2016 6 2984
2. CCLXXVI.—The alcohols of the hydroaromartic and terpene series. Part V. The geometrical and optical isomerism of the methylcyclohexanols
George Aleck Crocker Gough,Harold Hunter,Joseph Kenyon J. Chem. Soc. 1926 129 2052
3. Ni3P as a high-performance catalytic phase for the hydrodeoxygenation of phenolic compounds
Zhiquan Yu,Yao Wang,Zhichao Sun,Xiang Li,Anjie Wang,Donald M. Camaioni,Johannes A. Lercher Green Chem. 2018 20 609
4. Complex formation and self-association in ternary mixtures. Apparent heat capacities for alcohol–methyl acetate–hydrocarbon and acetone–chloroform–cyclohexane
Miguel Costas,Zutao Yao,Donald Patterson J. Chem. Soc. Faraday Trans. 1 1989 85 2211
5. Catalytic hydrogenation of phenol, cresol and guaiacol over physically mixed catalysts of Pd/C and zeolite solid acids
Hoda Shafaghat,Pouya Sirous Rezaei,Wan Mohd Ashri Wan Daud RSC Adv. 2015 5 33990
6. A stereo configuration-activity study of 3-iodo-4-(2-methylcyclohexyloxy)-6-phenethylpyridin-2(2H)-ones as potency inhibitors of HIV-1 variants
Shaotong Wu,Qianqian Yin,Liang Zhao,Ningning Fan,Xiaowan Tang,Jianxiong Zhao,Tao Sheng,Ying Guo,Chao Tian,Zhili Zhang,Weisi Xu,Zhenming Liu,Shibo Jiang,Liying Ma,Junyi Liu,Xiaowei Wang Org. Biomol. Chem. 2016 14 1413
7. Jet-cooled laser-induced fluorescence spectroscopy of methylcyclohexoxy radicals
Jiali Lin,Qijun Wu,Gaiting Liang,Lily Zu,Weihai Fang RSC Adv. 2012 2 583
8. Catalysis and molecular magnetism of dinuclear iron(iii) complexes with N-(2-pyridylmethyl)-iminodiethanol/-ate
Jong Won Shin,Jeong Mi Bae,Cheal Kim,Kil Sik Min Dalton Trans. 2014 43 3999
9. 535. Simple analogues of cortisone. Part II. Some monocyclic compounds
J. D. Billimoria J. Chem. Soc. 1953 2626
10. Catalytic conversion of alcohols. Part 10.—Influence of pretreatment on the selectivity of MgO and CaO
Burtron H. Davis J. Chem. Soc. Faraday Trans. 1 1980 76 92

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