33734-57-5 (辛烷过氧酸,Octaneperoxoic acid)

快速询单

结构式：

辛烷过氧酸MOL文件

CAS号：

33734-57-5

中文名称：

辛烷过氧酸

英文名称：

Octaneperoxoic acid

分子式：

C₈H₁₆O₃

分子量：

160.210843086243

辛烷过氧酸(33734-57-5)名称与标识符

名称

英文别名：

Octaneperoxoic acid;UNII-U1654TA1CQ;percaprylic acid;33734-57-5;CHEBI:173699;peroctanoic acid;DTXSID7074618;NS00007330;U1654TA1CQ;PEROXYCAPRYLIC ACID;peroxyoctanoic acid;Q27290547;Octaneperoxoic acid, 9CI;SCHEMBL28012;

标识符

InChIKey：

CVXHBROPWMVEQO-UHFFFAOYSA-N

Inchi：

1S/C8H16O3/c1-2-3-4-5-6-7-8(9)11-10/h10H,2-7H2,1H3

SMILES：

O(C(CCCCCCC)=O)O

辛烷过氧酸(33734-57-5)物化性质

实验特性

PSA : 46.53

计算特性

精确分子量 : 160.10998
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 7
同位素质量 : 160.109944368g/mol
重原子数量 : 11
复杂度 : 102
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 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.9
拓扑分子极性表面积 : 46.5Å²

辛烷过氧酸(33734-57-5)相关文献

1. 472. Peroxides of elements other than carbon. Part VIII. Organoperoxides of tin
D. L. Alleston,Alwyn G. Davies J. Chem. Soc. 1962 2465
2. Lipase-mediated formation of peroxycarboxylic acids used in catalytic epoxidation of alkenes
Fredrik Bj?rkling,Sven Erik Godtfredsen,Ole Kirk J. Chem. Soc. Chem. Commun. 1990 1301
3. 60. Peroxides of elements other than carbon. Part VII. The relative reactivity of the t-butyl and the isobutyl group in the autoxidation of di-isobutyl-t-butylboron
Alwyn G. Davies,D. G. Hare,R. F. M. White J. Chem. Soc. 1961 341
4. 474. Peroxides of elements other than carbon. Part II. The formation of boron peroxides by nucleophilic substitution
Alwyn G. Davies,R. B. Moodie J. Chem. Soc. 1958 2372
5. 774. Peroxides of elements other than carbon. Part VI. Peroxides of germanium
Alwyn G. Davies,C. D. Hall J. Chem. Soc. 1959 3835
6. Catalytic reactions in ionic liquids
Roger Sheldon Chem. Commun. 2001 2399
7. 864. Organic peroxides. Part X. The autoxidation of ethyl chaulmoograte: the course and stereochemistry of homolytic autoxidation
Alwyn G. Davies,J. E. Packer J. Chem. Soc. 1961 4390
8. 214. The proton magnetic resonance spectra of t-butyl and isobutyl groups in boron compounds
Alwyn G. Davies,D. G. Hare,R. F. M. White J. Chem. Soc. 1960 1040
9. 855. Monomethylation and polymethylenation by diazomethane in the presence of boron compounds
Alwyn G. Davies,D. G. Hare,O. R. Khan,J. Sikora J. Chem. Soc. 1963 4461
10. 1114. Tracer studies on alcohols. Part V. The pinacolic rearrangement of cis- and trans-1,2-dimethylcyclohexane-1,2-diol
C. A. Bunton,M. D. Carr J. Chem. Soc. 1963 5854