104049-84-5 ((Heptanal, ethyl-)

快速询单

结构式：

Heptanal, ethyl-MOL文件

CAS号：

104049-84-5

英文名称：

Heptanal, ethyl-

分子式：

C₉H₁₈O

分子量：

142.238623142242

Heptanal, ethyl-(104049-84-5)名称与标识符

名称

英文别名：

Heptanal, ethyl-;2-ethylheptanal;XGFJTLRIXGSGFE-UHFFFAOYSA-N;SCHEMBL277511;DTXSID60472042;AKOS006324977;104049-84-5;

标识符

InChIKey：

XGFJTLRIXGSGFE-UHFFFAOYSA-N

Inchi：

1S/C9H18O/c1-3-5-6-7-9(4-2)8-10/h8-9H,3-7H2,1-2H3

SMILES：

O=CC(CC)CCCCC

Heptanal, ethyl-(104049-84-5)物化性质

实验特性

PSA : 17.07

计算特性

精确分子量 : 142.13584
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 6
同位素质量 : 142.135765193g/mol
重原子数量 : 10
复杂度 : 78.8
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） : 3.1
拓扑分子极性表面积 : 17.1Å²

Heptanal, ethyl-(104049-84-5)相关文献

1. Supramolecular catalysis. Part 1: non-covalent interactions as a tool for building and modifying homogeneous catalysts
Matthieu Raynal,Pablo Ballester,Anton Vidal-Ferran,Piet W. N. M. van Leeuwen Chem. Soc. Rev. 2014 43 1660
2. Reactivity within a confined self-assembled nanospace
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3. Aqueous-biphasic hydroformylation of alkenes promoted by “weak” surfactants
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4. Ruthenium-catalyzed hydroformylation: from laboratory to continuous miniplant scale
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6. New rhodium catalytic systems with trifluoromethyl phosphite derivatives for the hydroformylation of 1-octene in supercritical carbon dioxide
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7. Phosphinines as ligands in homogeneous catalysis: recent developments, concepts and perspectives
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8. Phosphine containing dendrimers for highly regioselective rhodium catalysed hydroformylation of alkenes: a positive ‘dendritic effect’
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9. A new route for the synthesis of amphiphilic and water-soluble ligands: mono- and di-tertiary phosphines having an alkylene sulfate chain
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10. Continuous flow hydroformylation using supported ionic liquid phase catalysts with carbon dioxide as a carrier
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