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ScientificNameLabel
15-Hexadecanolide
PHCD compound ID : 1451
Chemical Names :
15-Hexadecanolide
Molecular Formula : C16H30O2
Molecular Weight : 254.22458
More Details :
Names & Synonyms: 16-methyl-oxacyclohexadecan-2-one , 16-methyl-1-oxacyclohexadecan-2-one
Smiles: C[C@@H]1CCCCCCCCCCCCCC(=O)O1
InChi : InChI=1S/C16H30O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h15H,2-14H2,1H3/t15-/m1/s1
InChi Key : InChIKey=GILZFLFJYUGJLX-OAHLLOKOSA-N
PubChem ID : 543385
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 10.490722
Hydrogen bond donor count : 0 Electric dipole moment : 2.286
XLogP : 6.516 VDW volume : 287.879749
Molecular weight : 254.22458 HOMO-LUMO gap : 11.780000
Herb list :
Refrences & Litretures:
  
154.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'71'      DOI:''      Title:'Constituents of the Essential Oil of Achillea eriophora DC'
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