2384-90-9 ((1,2-Heptadiene)

快速询单

结构式：

1,2-HeptadieneMOL文件

CAS号：

2384-90-9

英文名称：

1,2-Heptadiene

分子式：

C₇H₁₂

分子量：

96.1701822280884

1,2-Heptadiene(2384-90-9)名称与标识符

名称

英文别名：

1,2-Heptadiene;Butylallene;hepta-1,2-diene;DTXSID00870962;2384-90-9;1-BUTYLALLENE;OEMWTWLQGRYBGM-UHFFFAOYSA-N;AKOS006284670;SY347914;NSC 147135;NSC147135;NSC-147135;685ZG22A8K;UNII-685ZG22A8K;MFCD07780497;

标识符

InChIKey：

OEMWTWLQGRYBGM-UHFFFAOYSA-N

Inchi：

1S/C7H12/c1-3-5-7-6-4-2/h5H,1,4,6-7H2,2H3

SMILES：

C(CC=C=C)CC

1,2-Heptadiene(2384-90-9)物化性质

实验特性

PSA : 0
折射率 : 1.4320
沸点 : 103.75°C
熔点 : -105.67°C (estimate)
闪点 : 2.2°C
密度 : 0.7306

计算特性

精确分子量 : 96.09396
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 3
同位素质量 : 96.094
重原子数量 : 7
复杂度 : 66.1
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） : 2.6
拓扑分子极性表面积 : 0A^2

1,2-Heptadiene(2384-90-9)相关文献

1. Palladium-catalyzed intermolecular carboazidation of allenes with aryl iodides and trimethylsilyl azide
Hao-Ming Chang,Chien-Hong Cheng J. Chem. Soc. Perkin Trans. 1 2000 3799
2. An efficient synthesis of 2-trimethylsilyloxy-4-neopentyl quinoline via 3-lithio-1-tert-butylallene and phenyl isocyanate
Nina A. Nedolya,Lambert Brandsma,Boris A. Trofimov Mendeleev Commun. 1997 7 92
3. The conversion of allenes to strained three-membered heterocycles
C. S. Adams,C. D. Weatherly,E. G. Burke,J. M. Schomaker Chem. Soc. Rev. 2014 43 3136
4. Highly regio- and chemoselective [2 + 2 + 2] cycloaddition of 1,6-heptadiynes with allenes catalyzed by cobalt complexes
Ming-Si Wu,Muthian Shanmugasundaram,Chien-Hong Cheng Chem. Commun. 2003 718
5. SET-LRP synthesis of novel polyallene-based well-defined amphiphilic graft copolymers in acetone
Guolin Lu,Yongjun Li,Hao Guo,Weiyuan Du,Xiaoyu Huang Polym. Chem. 2013 4 3132
6. Stable bromoallene oxides
D. Christopher Braddock,Areeb Mahtey,Henry S. Rzepa,Andrew J. P. White Chem. Commun. 2016 52 11219
7. Displacement of ethene from the decamethyltitanocene-ethene complex with internal alkynes, substituent-dependent alkyne-to-allene rearrangement, and the electronic transition relevant to the back-bonding interaction
Ji?í Pinkas,Róbert Gyepes,Ivana Císa?ová,Ji?í Kubi?ta,Michal Horá?ek,Karel Mach Dalton Trans. 2015 44 7276
8. Chemically activated reactions on the C7H5 energy surface: propargyl + diacetylene, i-C5H3 + acetylene, and n-C5H3 + acetylene
Gabriel da Silva,Adam J. Trevitt Phys. Chem. Chem. Phys. 2011 13 8940
9. The molecular structure of allenes and ketenes. Part 19. Photoelectron spectra and conformations of donor-substituted allenes
Johan Kamphuis,Hendrik J. T. Bos,Cor W. Worrell,Wolfgang Runge J. Chem. Soc. Perkin Trans. 2 1986 1509
10. Palladium-catalyzed highly regio-, stereo- and chemoselective carbogermanylation of allenes: a novel method for the synthesis of 2-arylallylgermane derivatives
Masilamani Jeganmohan,Muthian Shanmugasundaram,Chien-Hong Cheng Chem. Commun. 2003 1746