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ScientificNameLabel
Delta-Decalactone
PHCD compound ID : 2347
Chemical Names :
Delta-Decalactone
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: 6-pentyltetrahydropyran-2-one , 6-pentyl-2-oxanone , 6-pentyloxan-2-one , 6-amyltetrahydropyran-2-one
Smiles: CCCCC[C@H]1CCCC(=O)O1
InChi : InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m0/s1
InChi Key : InChIKey=GHBSPIPJMLAMEP-VIFPVBQESA-N
PubChem ID : 12810
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.333362
Hydrogen bond donor count : 0 Electric dipole moment : 4.884
XLogP : 3.102 VDW volume : 184.103841
Molecular weight : 170.13068 HOMO-LUMO gap : 11.597000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
263.      Journal:'Z Lebensm Unters Forsch A'      Year:'1997'      Volume:'205'      Page:'218'      DOI:''      Title:'Analysis of strawberry flavour - discrimination of aroma types by quantification of volatile compounds'
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