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ScientificNameLabel
Delta-Octalactone
PHCD compound ID : 2345
Chemical Names :
Delta-Octalactone
Molecular Formula : C8H14O2
Molecular Weight : 142.09938
More Details :
Names & Synonyms: 6-propyltetrahydropyran-2-one , 6-propyl-2-oxanone , 6-propyloxan-2-one
Smiles: CCC[C@@H]1CCCC(=O)O1
InChi : InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3/t7-/m1/s1
InChi Key : InChIKey=FYTRVXSHONWYNE-SSDOTTSWSA-N
PubChem ID : 12777
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.336422
Hydrogen bond donor count : 0 Electric dipole moment : 4.924
XLogP : 1.964 VDW volume : 149.511872
Molecular weight : 142.09938 HOMO-LUMO gap : 11.603000
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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