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Compound: 5546
Plants: 312
References: 992
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(9E)-Eicosene
ScientificNameLabel
(9E)-Eicosene
PHCD compound ID :
2419
Chemical Names :
(9E)-Eicosene , (E)-9-Eicosene
Molecular Formula :
C20H40
Molecular Weight :
280.313001
More Details :
Names & Synonyms:
(E)-icos-9-ene , (E)-9-eicosene , (E)-eicos-9-ene
Smiles:
CCCCCCCCCC/C=C/CCCCCCCC
InChi :
InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20H2,1-2H3/b19-17+
InChi Key :
InChIKey=UVLKUUBSZXVVDZ-HTXNQAPBSA-N
PubChem ID :
5365037
Rotatable bond count :
16
Rule of five :
2
Hydrogen bond acceptor count :
0
Ionization potential :
9.535676
Hydrogen bond donor count :
0
Electric dipole moment :
0.088
XLogP :
11.204
VDW volume :
351.839693
Molecular weight :
280.313001
HOMO-LUMO gap :
10.803000
Herb list :
Barley - Hordeum vulgare - جو
Damask rose, Persian rose - Rosa damascena - گل محمدی، گل گلاب
Refrences & Litretures:
269. Journal:'Zeitschrift fur Naturforschung C' Year:'1998' Volume:'53' Page:'811' DOI:'' Title:'Chemical Constituents from Shoots of Hordeum vulgare Infested by the Aphid Schizaphis graminum'
634. Journal:'Chemistry of Natural Compounds' Year:'2009' Volume:'45' Page:'110' DOI:'' Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
636. Journal:'Journal of Essential Oil Research' Year:'2013' Volume:'25' Page:'55' DOI:'10.1080/10412905.2012.751555' Title:'Comparison of microwave-assisted distillation and conventional hydrodistillation in the essential oil extraction of ?owers Rosa damascena Mill'
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