6069-42-7 (3-hydroperoxyprop-1-ene,Hydroperoxide, 2-propenyl)

快速询单

结构式：

3-hydroperoxyprop-1-eneMOL文件

CAS号：

6069-42-7

中文名称：

3-hydroperoxyprop-1-ene

英文名称：

Hydroperoxide, 2-propenyl

分子式：

C₃H₆O₂

分子量：

74.0785412788391

3-hydroperoxyprop-1-ene(6069-42-7)名称与标识符

名称

中文别名：

3-hydroperoxyprop-1-ene;

英文别名：

DTXSID80450680;DTXCID70401500;Allyl Hydroperoxide;6069-42-7;Hydroperoxide, 2-propenyl;

标识符

InChIKey：

LYPJURWUGVQBTD-UHFFFAOYSA-N

Inchi：

1S/C3H6O2/c1-2-3-5-4/h2,4H,1,3H2

SMILES：

O(CC=C)O

3-hydroperoxyprop-1-ene(6069-42-7)物化性质

计算特性

精确分子量 : 74.036779430Da
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 74.036779430Da
重原子数量 : 5
复杂度 : 26.1
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） : 0.2
拓扑分子极性表面积 : 29.5Å²

3-hydroperoxyprop-1-ene(6069-42-7)相关文献

1. Visible light-mediated photo-oxygenation of arylcyclohexenes
Patrick Bayer,Josef Schachtner,Michal Májek,Axel Jacobi von Wangelin Org. Chem. Front. 2019 6 2877
2. Structures, thermochemical properties (enthalpy, entropy and heat capacity), rotation barriers, and peroxide bond energies of vinyl, allyl, ethynyl and phenyl hydroperoxides
Nadia Sebbar,Henning Bockhorn,Joseph W. Bozzelli Phys. Chem. Chem. Phys. 2002 4 3691
3. Identification of the Criegee intermediate reaction network in ethylene ozonolysis: impact on energy conversion strategies and atmospheric chemistry
Aric C. Rousso,Nils Hansen,Ahren W. Jasper,Yiguang Ju Phys. Chem. Chem. Phys. 2019 21 7341
4. Isomer-sensitive characterization of low temperature oxidation reaction products by coupling a jet-stirred reactor to an electron/ion coincidence spectrometer: case of n-pentane
Jérémy Bourgalais,Zied Gouid,Olivier Herbinet,Gustavo A. Garcia,Philippe Arnoux,Zhandong Wang,Luc-Sy Tran,Guillaume Vanhove,Majdi Hochlaf,Laurent Nahon,Frédérique Battin-Leclerc Phys. Chem. Chem. Phys. 2020 22 1222
5. Kinetics of the benzyl + HO2 and benzoxyl + OH barrierless association reactions: fate of the benzyl hydroperoxide adduct under combustion and atmospheric conditions
M. Monge-Palacios,Edwing Grajales-González,Goutham Kukkadapu,S. Mani Sarathy Phys. Chem. Chem. Phys. 2020 22 9029
6. Allylmetal-directed addition of 1O2: Scope, mechanism and synthetic utility
Patrick H. Dussault,Charles T. Eary,Richard J. Lee,Umesh R. Zope J. Chem. Soc. Perkin Trans. 1 1999 2189
7. Theoretical investigation on the reaction mechanism and kinetics of a Criegee intermediate with ethylene and acetylene
Cuihong Sun,Baoen Xu,Liqiang Lv,Shaowen Zhang Phys. Chem. Chem. Phys. 2019 21 16583
8. Efficient photosensitized oxygenations in phase contact enhanced microreactors
Chan Pil Park,Ram Awatar Maurya,Jang Han Lee,Dong-Pyo Kim Lab Chip 2011 11 1941
9. Identification of the acetaldehyde oxide Criegee intermediate reaction network in the ozone-assisted low-temperature oxidation of trans-2-butene
Alan R. Conrad,Nils Hansen,Ahren W. Jasper,Natasha K. Thomason,Laura Hidaldo-Rodrigues,Sean P. Treshock,Denisia M. Popolan-Vaida Phys. Chem. Chem. Phys. 2021 23 23554
10. Zeolites: physical aspects and environmental applications
Christopher J. Rhodes Annu. Rep. Prog. Chem. Sect. C: Phys. Chem. 2007 103 287

6069-42-7 (3-hydroperoxyprop-1-ene,Hydroperoxide, 2-propenyl)

3-hydroperoxyprop-1-ene(6069-42-7)名称与标识符

名称

标识符

3-hydroperoxyprop-1-ene(6069-42-7)物化性质

计算特性

3-hydroperoxyprop-1-ene(6069-42-7)相关文献

目录