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ScientificNameLabel
Oct-2-enal
PHCD compound ID : 2278
Chemical Names :
Oct-2-enal
Molecular Formula : C8H14O1
Molecular Weight : 126.104465
More Details :
Names & Synonyms: oct-2-enal , 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 : 16900
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.094003
Hydrogen bond donor count : 0 Electric dipole moment : 4.149
XLogP : 2.988 VDW volume : 150.441645
Molecular weight : 126.104465 HOMO-LUMO gap : 9.811000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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