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ScientificNameLabel
Hexadecylacetate
PHCD compound ID : 511
Chemical Names :
1-hexadecanol acetate , Hexadecyl acetate , Hexadecylacetate
Molecular Formula : C18H36O2
Molecular Weight : 284.27153
More Details :
Names & Synonyms: hexadecyl acetate , acetic acid hexadecyl ester , hexadecyl ethanoate , acetic acid cetyl ester
Smiles: CCCCCCCCCCCCCCCCOC(=O)C
InChi : InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3
InChi Key : InChIKey=LSTDYDRCKUBPDI-UHFFFAOYSA-N
PubChem ID : 12393
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.739001
Hydrogen bond donor count : 0 Electric dipole moment : 1.980
XLogP : 8.419 VDW volume : 334.828177
Molecular weight : 284.27153 HOMO-LUMO gap : 11.906000
Herb list :
Refrences & Litretures:
  
31.      Journal:'Global Journal of Pharmacology'      Year:'2013'      Volume:'7'      Page:'377'      DOI:'10.5829/idosi.gjp.2013.7.4.1114'      Title:'Steryl Glycosides, Lipoidal Matter and Volatile Constituents of Urtica pilulifera'
114.      Journal:'J. Mater. Environ. Sci'      Year:'2015'      Volume:'6'      Page:'207'      DOI:''      Title:'Chemical composition of the essential oils from leaves of Melissa officinalis extracted by hydrodistillation, steam distillation, organic solvent and microwave hydrodistillation'
499.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'585'      DOI:''      Title:'GC/MS STUDY OF THE CHLOROFORM FRACTION OF Melilotus officinalis'
712.      Journal:'Flavour Fragr. J'      Year:'2001'      Volume:'16'      Page:'334'      DOI:'10.1002/ffj.1005'      Title:'Essential oil composition of Syzygium aromaticum leaf from Little Andaman, India'
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