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ScientificNameLabel
Decyl butanoate
PHCD compound ID : 2317
Chemical Names :
Decyl butanoate
Molecular Formula : C14H28O2
Molecular Weight : 228.20893
More Details :
Names & Synonyms: decyl butanoate , butanoic acid decyl ester , butyric acid decyl ester
Smiles: CCCCCCCCCCOC(=O)CCC
InChi : InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h3-13H2,1-2H3
InChi Key : InChIKey=PUCQHFICPFUPKW-UHFFFAOYSA-N
PubChem ID : 229387
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.705930
Hydrogen bond donor count : 0 Electric dipole moment : 2.085
XLogP : 5.827 VDW volume : 265.644238
Molecular weight : 228.20893 HOMO-LUMO gap : 11.902000
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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