19043-03-9 ((CYCLOHEXANOL, 2-METHYL-, (1R,2R)-)

快速询单

结构式：

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

CAS号：

19043-03-9

英文名称：

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

分子式：

C₇H₁₄O

分子量：

114.185462474823

CYCLOHEXANOL, 2-METHYL-, (1R,2R)-(19043-03-9)名称与标识符

名称

中文别名：

反-2-甲基环己醇;

英文别名：

CYCLOHEXANOL, 2-METHYL-, (1R,2R)-;7443-52-9;M0352;SCHEMBL409660;Z1896168809;Cyclohexanol, 2-methyl-, trans-;19043-03-9;AKOS025295690;trans-2-Methylcyclohexanol, 99%;(1R,2R)-2-methylcyclohexanol;NSC 244887;(1R,2R)-2-methylcyclohexan-1-ol;CS-0256393;231-186-3;EN300-1624314;DTXSID301032693;2-Methylcyclohexanol #;NSC 245854;trans-2-Methylcyclohexanol;rac-(1R,2R)-2-methylcyclohexan-1-ol;(+/-)-trans-2-methylcyclohexanol;EINECS 231-186-3;trans-2-methyl-cyclohexanol;EN300-6481504;BDBM36191;

标识符

InChIKey：

NDVWOBYBJYUSMF-RNFRBKRXSA-N

Inchi：

1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m1/s1

SMILES：

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

CYCLOHEXANOL, 2-METHYL-, (1R,2R)-(19043-03-9)物化性质

实验特性

LogP : 1.55740
PSA : 20.23000
折射率 : n20/D 1.461(lit.)
沸点 : 79 - 80 °C (24 mmHg)
熔点 : −21 °C(lit.)
闪点 : 138 °F
密度 : 0.924 g/mL at 25 °C(lit.)

计算特性

精确分子量 : 114.104
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 : 114.104
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 : 2
不确定原子立构中心数量 : 0
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 : 20.2A^2

CYCLOHEXANOL, 2-METHYL-, (1R,2R)-(19043-03-9)生产方法和用途

用途：

为抗心绞痛新药;

CYCLOHEXANOL, 2-METHYL-, (1R,2R)-(19043-03-9)相关文献

1. Jet-cooled laser-induced fluorescence spectroscopy of methylcyclohexoxy radicals
Jiali Lin,Qijun Wu,Gaiting Liang,Lily Zu,Weihai Fang RSC Adv. 2012 2 583
2. 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
3. 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
4. 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
5. Redefining solubility parameters: the partial solvation parameters
Costas Panayiotou Phys. Chem. Chem. Phys. 2012 14 3882
6. Biomimetic alcohol oxidations by an iron(iii) porphyrin complex: relevance to cytochrome P-450 catalytic oxidation and involvement of the two-state radical rebound mechanism
Jung Hee Han,Sang-Kun Yoo,Jin Soo Seo,Sung Jin Hong,Seok Kyu Kim,Cheal Kim Dalton Trans. 2005 402
7. Chemistry of organoborates. Part IV. Stereochemistry and relative migratory aptitudes of alkyl groups in the cyanoborate process
Andrew Pelter,Michael G. Hutchings,Keith Smith,David J. Williams J. Chem. Soc. Perkin Trans. 1 1975 145
8. The formation of rearrangement products in the reactions of cyclic alcohols with boron trichloride
Harry R. Hudson,Paul A. Karam J. Chem. Soc. Perkin Trans. 2 1973 1141
9. Regio- and stereo-selective reductive cleavage of epoxides with zinc borohydride supported on silica gel
Brindaban C. Ranu,Ashish R. Das J. Chem. Soc. Chem. Commun. 1990 1334
10. Reactions of silver(I) acetate–iodine and thallium(I) acetate–iodine with substituted cyclopropanes
Peter H. Atkinson,Richard C. Cambie,Graham Dixon,Wendy I. Noall,Peter S. Rutledge,Paul D. Woodgate J. Chem. Soc. Perkin Trans. 1 1977 230

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