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ScientificNameLabel
cis-Hex-3-enyl octanoate
PHCD compound ID : 2337
Chemical Names :
cis-Hex-3-enyl octanoate
Molecular Formula : C14H26O2
Molecular Weight : 226.19328
More Details :
Names & Synonyms: [(Z)-hex-3-enyl] octanoate , octanoic acid [(Z)-hex-3-enyl] ester , caprylic acid [(Z)-hex-3-enyl] ester
Smiles: CCCCCCCC(=O)OCC/C=C\CC
InChi : InChI=1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h6,8H,3-5,7,9-13H2,1-2H3/b8-6-
InChi Key : InChIKey=DYIDDAHHUMHEEQ-VURMDHGXSA-N
PubChem ID : 5352267
Rotatable bond count : 11 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.650000
Hydrogen bond donor count : 0 Electric dipole moment : 1.581
XLogP : 5.311 VDW volume : 263.007779
Molecular weight : 226.19328 HOMO-LUMO gap : 10.844000
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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