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ScientificNameLabel
Hex-1-en-3-yl acetate
PHCD compound ID : 2298
Chemical Names :
Hex-1-en-3-yl acetate
Molecular Formula : C8H14O2
Molecular Weight : 142.09938
More Details :
Names & Synonyms: 1-vinylbutyl acetate , acetic acid hex-1-en-3-yl ester , hex-1-en-3-yl acetate , hex-1-en-3-yl ethanoate , acetic acid 1-propylallyl ester
Smiles: CCC[C@H](OC(=O)C)C=C
InChi : InChI=1S/C8H14O2/c1-4-6-8(5-2)10-7(3)9/h5,8H,2,4,6H2,1,3H3/t8-/m1/s1
InChi Key : InChIKey=XCAHGFCKEWDQJK-MRVPVSSYSA-N
PubChem ID : 118262
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.400771
Hydrogen bond donor count : 0 Electric dipole moment : 2.176
XLogP : 2.309 VDW volume : 159.231872
Molecular weight : 142.09938 HOMO-LUMO gap : 11.187000
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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