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ScientificNameLabel
Isopropyl decanoate
PHCD compound ID : 2341
Chemical Names :
Isopropyl decanoate
Molecular Formula : C13H26O2
Molecular Weight : 214.19328
More Details :
Names & Synonyms: isopropyl decanoate , decanoic acid propan-2-yl ester , propan-2-yl decanoate , capric acid isopropyl ester
Smiles: CCCCCCCCCC(=O)OC(C)C
InChi : InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-13(14)15-12(2)3/h12H,4-11H2,1-3H3
InChi Key : InChIKey=PKPPDYGHKDIKBH-UHFFFAOYSA-N
PubChem ID : 16833
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 10.634799
Hydrogen bond donor count : 0 Electric dipole moment : 1.984
XLogP : 5.36 VDW volume : 248.348254
Molecular weight : 214.19328 HOMO-LUMO gap : 11.903000
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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