4065-80-9 (环己醇，2-亚甲基-,Cyclohexanol,2-methylene-)

快速询单

结构式：

环己醇，2-亚甲基-MOL文件

CAS号：

4065-80-9

中文名称：

环己醇，2-亚甲基-

英文名称：

Cyclohexanol,2-methylene-

分子式：

C₇H₁₂O

分子量：

112.169582366943

环己醇，2-亚甲基-(4065-80-9)名称与标识符

名称

英文别名：

Cyclohexanol,2-methylene-;2-methylidenecyclohexan-1-ol;1-hydroxy-2-methylenecyclohexane;4065-80-9;2-methylene-cyclohexan-1-ol;SCHEMBL2632448;GTAPKXQXCYRLRG-UHFFFAOYSA-N;AKOS015906874;NSC-249229;DTXSID80312052;EN300-6498340;NSC249229;2-Methylenecyclohexanol;Cyclohexanol, 2-methylene-;

标识符

InChIKey：

GTAPKXQXCYRLRG-UHFFFAOYSA-N

Inchi：

1S/C7H12O/c1-6-4-2-3-5-7(6)8/h7-8H,1-5H2

SMILES：

OC1C(=C)CCCC1

环己醇，2-亚甲基-(4065-80-9)物化性质

实验特性

LogP : 1.47750
PSA : 20.23
折射率 : 1.4843
沸点 : 170.13°C (rough estimate)
闪点 : 69.4°C
密度 : 0.9550

计算特性

精确分子量 : 112.08886
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 : 112.089
重原子数量 : 8
复杂度 : 96.6
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 : 1
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） : 1.1
拓扑分子极性表面积 : 20.2Å²

环己醇，2-亚甲基-(4065-80-9)相关文献

1. Preparation and deamination of cyclohex-1-enyl- and cyclohexa-1,4-dienyl-methylamine
K. S. J. Stapleford J. Chem. Soc. C 1971 2580
2. 321. Conformationally fixed olefins. Part III. The stereochemistry of the reaction of t-butyl perbenzoate with 1-methylene-4-t-butylcyclo-hexane
B. Cross,G. H. Whitham J. Chem. Soc. 1961 1650
3. 714. Aspects of stereochemistry. Part XV. Catalytic hydrogenation of cyclic allylic alcohols in the presence of sodium nitrite
M. C. Dart,H. B. Henbest J. Chem. Soc. 1960 3563
4. Initiated tert-butyl hydroperoxide-loaded low-temperature autoxidation of alkenes: alternative hydroperoxide syntheses and the preparation of a complete set of reference materials
John L. Courtneidge,Melanie Bush,Lay-See Loh J. Chem. Soc. Perkin Trans. 1 1992 1539
5. Initiated tert-butyl hydroperoxide-loaded low-temperature autoxidation of alkenes: alternative hydroperoxide syntheses and the preparation of a complete set of reference materials
John L. Courtneidge,Melanie Bush,Lay-See Loh J. Chem. Soc. Perkin Trans. 1 1992 1539
6. Chemometric resolution techniques combined with GC-MS to enhance determination of the volatile chemical constituents of bay leaves
M. Asadollahi-Baboli Anal. Methods 2013 5 6368
7. Proceedings of the Chemical Society. September 1963
Proc. Chem. Soc. 1963 253
8. Baker’s yeast mediated enantioselective synthesis of the bisabolene sesquiterpenes (+)-epijuvabione and (?)-juvabione
Claudio Fuganti,Stefano Serra J. Chem. Soc. Perkin Trans. 1 2000 97
9. Consecutive 6-endo trigonal cyclisations from polyene acyl radical intermediates leading to decalone and perhydrophenanthrone ring constructions
Ligong Chen,G. Bryon Gill,Gerald Pattenden,Houri Simonian J. Chem. Soc. Perkin Trans. 1 1996 31
10. The chemistry of cyclopropylidenes. Part 1. Reaction of 7,7-dibromo-3-vinylbicyclo[4.1.0]heptanes with methyl-lithium
Mark S. Baird J. Chem. Soc. Perkin Trans. 1 1979 1020