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ScientificNameLabel
13-Tetradecanolide
PHCD compound ID : 1446
Chemical Names :
13-Tetradecanolide
Molecular Formula : C14H26O2
Molecular Weight : 226.19328
More Details :
Names & Synonyms: 14-methyl-oxacyclotetradecan-2-one , 14-methyl-1-oxacyclotetradecan-2-one
Smiles: C[C@@H]1CCCCCCCCCCCC(=O)O1
InChi : InChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h13H,2-12H2,1H3/t13-/m1/s1
InChi Key : InChIKey=FGDBANZBXSVCEG-CYBMUJFWSA-N
PubChem ID : 543405
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 10.516581
Hydrogen bond donor count : 0 Electric dipole moment : 2.218
XLogP : 5.378 VDW volume : 253.287779
Molecular weight : 226.19328 HOMO-LUMO gap : 11.805000
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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