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ScientificNameLabel
Hexyl decanoate
PHCD compound ID : 2342
Chemical Names :
Hexyl decanoate
Molecular Formula : C16H32O2
Molecular Weight : 256.24023
More Details :
Names & Synonyms: hexyl decanoate , decanoic acid hexyl ester , capric acid hexyl ester
Smiles: CCCCCCCCCC(=O)OCCCCCC
InChi : InChI=1S/C16H32O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3-15H2,1-2H3
InChi Key : InChIKey=DGPNTCACXCHFDI-UHFFFAOYSA-N
PubChem ID : 82635
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.590985
Hydrogen bond donor count : 0 Electric dipole moment : 2.049
XLogP : 6.965 VDW volume : 300.236207
Molecular weight : 256.24023 HOMO-LUMO gap : 11.785000
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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