14129-48-7 (4-辛烯-3-酮,4-Octen-3-one)

快速询单

结构式：

4-辛烯-3-酮MOL文件

CAS号：

14129-48-7

中文名称：

4-辛烯-3-酮

英文名称：

4-Octen-3-one

分子式：

C₈H₁₄O

分子量：

126.196162700653

植物源：

逐风草

4-辛烯-3-酮(14129-48-7)名称与标识符

名称

英文别名：

4-Octen-3-one;Oct-4-en-3-one;JPTOCTSNXXKSSN-UHFFFAOYSA-N;5Q55OU7FEN;methylheptenon;UNII-5Q55OU7FEN;CHEBI:177003;14129-48-7;DTXSID1065712;

标识符

InChIKey：

JPTOCTSNXXKSSN-UHFFFAOYSA-N

Inchi：

1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3

SMILES：

O=C(C=CCCC)CC

4-辛烯-3-酮(14129-48-7)物化性质

实验特性

PSA : 17.07
折射率 : 1.431
沸点 : 180.4°Cat760mmHg
闪点 : 67.1°C
FEMA : 4328 | 4-OCTEN-3-ONE
密度 : 0.833

计算特性

精确分子量 : 126.10452
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 4
同位素质量 : 126.104465
重原子数量 : 9
复杂度 : 103
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 : 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 : 1
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.2
拓扑分子极性表面积 : 17.1

4-辛烯-3-酮(14129-48-7)相关文献

1. Photocycloadditions of 4-methoxy-2-pyridone to olefins and synthesis of 1,2-dihydrocyclobuta[c]pyridin-3(4H)-ones
Harue Fujii,Kazuhiro Shiba,Chikara Kaneko J. Chem. Soc. Chem. Commun. 1980 537
2. 4,8,8-Tribromobicyclo[5.1.0]oct-4-en-3-ones from dibromocarbene adducts of cyclohexa-1,4-dienols
A. K. Yagoub,George M. Iskander J. Chem. Soc. Perkin Trans. 1 1975 1043
3. 1020. Reactions of cyclohexadienes. Part IV. Some transformations of bisdihalogenocarbene adducts
A. J. Birch,J. M. Brown,F. Stansfield J. Chem. Soc. 1964 5343
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