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ScientificNameLabel
(E)-2-Hexylcinnamaldehyde
PHCD compound ID : 2706
Chemical Names :
2-Hexyl-(E)-Cinnamaldehyde , (E)-2-Hexylcinnamaldehyde
Molecular Formula : C15H20O1
Molecular Weight : 216.151415
More Details :
Names & Synonyms: (2E)-2-benzylideneoctanal , (2E)-2-(phenylmethylene)octanal , (2E)-2-(phenylmethylidene)octanal , (E)-2-hexyl-3-phenyl-acrolein
Smiles: CCCCCC/C(=C\c1ccccc1)/C=O
InChi : InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
InChi Key : InChIKey=GUUHFMWKWLOQMM-NTCAYCPXSA-N
PubChem ID : 1550884
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.717700
Hydrogen bond donor count : 0 Electric dipole moment : 2.910
XLogP : 4.889 VDW volume : 240.347703
Molecular weight : 216.151415 HOMO-LUMO gap : 9.315000
Herb list :
Refrences & Litretures:
  
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
562.      Journal:'chemija'      Year:'2008'      Volume:'19'      Page:'25'      DOI:''      Title:'Volatile constituents from aerial parts and roots of Cichorium intybus L. (chicory) grown in Lithuania'
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