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Butyl tetradecanoate
PHCD compound ID : 4176
Chemical Names :
Butyl tetradecanoate
Molecular Formula : C18H36O2
Molecular Weight : 284.27153
More Details :
Names & Synonyms: butyl tetradecanoate , tetradecanoic acid butyl ester , myristic acid butyl ester
Smiles: CCCCCCCCCCCCCC(=O)OCCCC
InChi : InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3
InChi Key : InChIKey=DHAZIUXMHRHVMP-UHFFFAOYSA-N
PubChem ID : 8047
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.561013
Hydrogen bond donor count : 0 Electric dipole moment : 1.981
XLogP : 8.103 VDW volume : 334.828177
Molecular weight : 284.27153 HOMO-LUMO gap : 11.813000
Herb list :
Refrences & Litretures:
  
582.      Journal:'Food Chemistry'      Year:'2007'      Volume:'101'      Page:'1272'      DOI:'10.1016/j.foodchem.2005.12.029'      Title:'Flavour pro?le of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC–MS'
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