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Hexadecanoic acid, cyclohexyl ester
PHCD compound ID : 266
Chemical Names :
Hexadecanoic acid, cyclohexyl ester
Molecular Formula : C22H42O2
Molecular Weight : 338.318481
More Details :
Names & Synonyms: cyclohexyl hexadecanoate , hexadecanoic acid cyclohexyl ester , palmitic acid cyclohexyl ester
Smiles: CCCCCCCCCCCCCCCC(=O)OC1CCCCC1
InChi : InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h21H,2-20H2,1H3
InChi Key : InChIKey=BMZOQYYROAVSAP-UHFFFAOYSA-N
PubChem ID : 74288
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.444478
Hydrogen bond donor count : 0 Electric dipole moment : 2.266
XLogP : 9.719 VDW volume : 391.655656
Molecular weight : 338.318481 HOMO-LUMO gap : 11.753000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
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