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ScientificNameLabel
2-octenal(E)
PHCD compound ID : 614
Chemical Names :
(E)-2-Octenal , 2-octenal(E) , trans-2-octenal , (E)-Oct-2-enal , 2-octenal(isomer) and beta-E-ocimene
Molecular Formula : C8H14O1
Molecular Weight : 126.104465
More Details :
Names & Synonyms: (E)-oct-2-enal , (E)-2-octenal
Smiles: CCCCC/C=C/C=O
InChi : InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
InChi Key : InChIKey=LVBXEMGDVWVTGY-VOTSOKGWSA-N
PubChem ID : 5283324
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.094020
Hydrogen bond donor count : 0 Electric dipole moment : 4.148
XLogP : 2.988 VDW volume : 150.441645
Molecular weight : 126.104465 HOMO-LUMO gap : 9.811000
Herb list :
Refrences & Litretures:
  
35.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'548'      DOI:'10.1016/j.foodchem.2010.04.064'      Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
194.      Journal:'J Nat Pharm Prod'      Year:'2015'      Volume:'10'      Page:'e21968'      DOI:'10.17795/jjnpp-21968'      Title:'Essential Oil of Arial Parts of Adiantum capillus-veneris: Chemical Composition and Antioxidant Activity'
317.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'8310'      DOI:'10.1021/jf0580869'      Title:'Analysis of Volatile Compounds and Triglycerides of Seed Oils Extracted from Different Poppy Varieties (Papaver somniferum L.)'
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
505.      Journal:'Microchemical Journal'      Year:'2009'      Volume:'93'      Page:'140'      DOI:'10.1016/j.microc.2009.05.011'      Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-MS'
568.      Journal:'J. Essent. Oil Res'      Year:'2005'      Volume:'17'      Page:'312'      DOI:''      Title:'Essential Oils in the Leaves of Cocoa (Theobroma cacao L.) Clone UIT1 and NA33'
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
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