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ScientificNameLabel
Octadecanol acetate
PHCD compound ID : 1069
Chemical Names :
Octadecanol acetate
Molecular Formula : C20H40O2
Molecular Weight : 312.302831
More Details :
Names & Synonyms: octadecyl acetate , acetic acid octadecyl ester , octadecyl ethanoate , acetic acid stearyl ester
Smiles: CCCCCCCCCCCCCCCCCCOC(=O)C
InChi : InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3
InChi Key : InChIKey=OIZXRZCQJDXPFO-UHFFFAOYSA-N
PubChem ID : 69968
Rotatable bond count : 18 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.644659
Hydrogen bond donor count : 0 Electric dipole moment : 2.083
XLogP : 9.557 VDW volume : 369.420146
Molecular weight : 312.302831 HOMO-LUMO gap : 11.824000
Herb list :
Refrences & Litretures:
  
109.      Journal:'AGRICULTURAL COMMUNICATIONS'      Year:'2014'      Volume:'2'      Page:'42'      DOI:''      Title:'Effect of Different Salinity Levels on Essential Oil Content and Composition of Dracocephalum moldavica'
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