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ScientificNameLabel
hexenyl acetate
PHCD compound ID : 2217
Chemical Names :
hexenyl acetate
Molecular Formula : C8H14O2
Molecular Weight : 142.09938
More Details :
Names & Synonyms: hex-1-enyl acetate , acetic acid hex-1-enyl ester , hex-1-enyl ethanoate
Smiles: CCCC/C=C/OC(=O)C
InChi : InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
InChi Key : InChIKey=YDZCHDQXPLJVBG-VOTSOKGWSA-N
PubChem ID : 122966
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.531613
Hydrogen bond donor count : 0 Electric dipole moment : 1.883
XLogP : 2.609 VDW volume : 159.231872
Molecular weight : 142.09938 HOMO-LUMO gap : 10.136000
Herb list :
Refrences & Litretures:
  
261.      Journal:'Herba Polonica'      Year:'2009'      Volume:'55'      Page:'153'      DOI:''      Title:'Contents and chemical composition of essential oils from wild strawberry (Fragaria vesca L.)'
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