692-94-4 (反-去氢母菊酯,2-Decene-4,6,8-triynoic acid-Me ester)

快速询单

结构式：

反-去氢母菊酯MOL文件

CAS号：

692-94-4

中文名称：

反-去氢母菊酯

英文名称：

2-Decene-4,6,8-triynoic acid-Me ester

分子式：

C₁₁H₈O₂

分子量：

172.180023193359

植物源：

金顶菊花木芫荽新疆三肋果

反-去氢母菊酯(692-94-4)名称与标识符

名称

中文别名：

反-去氢母菊酯;

英文别名：

2-Decene-4,6,8-triynoic acid-Me ester;2E-dehydro-matricaria ester;dec-2t-ene-4,6,8-triynoic acid methyl ester;dehydromarticaria acid methyl ester;E-dehydromatricaria ester;methyl dec-trans-2-ene-4,6,8-triynoate;trans-dehydromatricaria ester;CHEBI:4366;(Z)-2-Decene-4,6,8-triynoic acid methylester;7329-73-9;2-DECENE-4,6,8-TRIYONIC ACID, METHYL ESTER;Dec-4,6,8-triyn-2-enoic acid, methyl ester;2Z-Dehydromatricaria ester;692-94-4;LBAVIXQTLKRIGP-MDZDMXLPSA-N;2-Decene-4,6,8-triynoic acid, methyl ester;Methyl (Z)-2-decene-4,6,8-triynoate;Dehydromatricaria ester;cis-Dehydromaticaria ester;LMFA07010935;DTXSID00876661;methyl (2E)-dec-2-en-4,6,8-triynoate;cis-Dehydromatricaria methyl ester;2-Decene-4,6,8-triynoic acid, methyl ester, (E)-;(E)-2-Decene-4,6,8-triynoic acid methyl ester;Dehydromatricaria methyl ester;Methyl ester(Z)-2-Decene-4,6,8-triynoic acid;C08446;methyl (E)-dec-2-en-4,6,8-triynoate;Q27106352;(E)-Dehydromatricaria ester;

标识符

InChIKey：

LBAVIXQTLKRIGP-MDZDMXLPSA-N

Inchi：

1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9+

SMILES：

O(C)C(/C=C/C#CC#CC#CC)=O

反-去氢母菊酯(692-94-4)物化性质

实验特性

LogP : 2.42
沸点 : 262.6°Cat760mmHg
熔点 : 114-115°C
闪点 : 103.7°C
密度 : 1.095

计算特性

精确分子量 : 172.05243
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 4
同位素质量 : 172.05243
重原子数量 : 13
复杂度 : 401
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 : 1
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） : 2.1
拓扑分子极性表面积 : 26.3

反-去氢母菊酯(692-94-4)相关文献

1. Natural acetylenes. Part XXII. trans-Dehydromatricaria ester as a biosynthetic precursor of some fungal polyacetylenes
P. Hodge,Ewart R. H. Jones,G. Lowe J. Chem. Soc. C 1966 1216
2. Proceedings of the Chemical Society. March 1961
Proc. Chem. Soc. 1961 93
3. Natural acetylenes. Part XXXI. C14-tetrahydropyranyl and other polyacetylenes from the compositae Dahlia coccinea Cav. var. coccinea
C. Chin,M. C. Cutler,Ewart R. H. Jones,J. Lee,S. Safe,V. Thaller J. Chem. Soc. C 1970 314
4. A toxic C14 polyacetylenic tetrahydropyranyl alcohol from the compositae
C. Chin,Ewart R. H. Jones,V. Thaller,R. T. Aplin,L. J. Durham,S. C. Cascon,W. B. Mors,B. M. Tursch Chem. Commun. (London) 1965 152
5. 144. Chemistry of the higher fungi. Part X. Further polyacetylenic derivatives of decane from various basidiomycetes
J. N. Gardner,E. R. H. Jones,P. R. Leeming,J. S. Stephenson J. Chem. Soc. 1960 691
6. Index of authors, 1966
J. Chem. Soc. C 1966 2369
7. Biosynthesis of the allene (?)-marasin in Marasmius ramealis
David G. Davies,Philip Hodge Org. Biomol. Chem. 2005 3 1690
8. Natural acetylenes. Part XLVII. Biosynthetic experiments with the fungus Lepista diemii(singer). Biogenesis of the C8 acetylenic cyano-acid diatretyne 2
Ewart R. H. Jones,Viktor Thaller,John L. Turner J. Chem. Soc. Perkin Trans. 1 1975 424
9. The carbon-13 nuclear magnetic resonance spectra of the antibiotic polyacetylenic nitrile, diatretyne 2 (7-cyanohept-trans-2-ene-4,6-diynoic acid), and related compounds
Milton T. W. Hearn,John L. Turner J. Chem. Soc. Perkin Trans. 2 1976 1027
10. Organic chemistry
W. D. Ollis,J. H. Ridd,D. H. Williams,A. Horsfield,H. M. R. Hoffmann,C. J. Timmons,B. C. Challis,Alwyn G. Davies,M. F. Ansell,I. O. Sutherland,J. MacMillan,G. W. H. Cheeseman,A. C. Richardson,J. D. Hobson,H. D. Law,T. L. V. Ulbricht,G. W. Kirby Annu. Rep. Prog. Chem. 1965 62 211