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ScientificNameLabel
Methyl isohexadecanoate
PHCD compound ID : 3858
Chemical Names :
Pentadecanoic acid,14-methyl- , Pentadecanoic acid,14-methyl-,methyl ester , Methyl isohexadecanoate
Molecular Formula : C17H34O2
Molecular Weight : 270.25588
More Details :
Names & Synonyms: methyl 14-methylpentadecanoate , 14-methylpentadecanoic acid methyl ester
Smiles: COC(=O)CCCCCCCCCCCCC(C)C
InChi : InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3
InChi Key : InChIKey=WAKCWJNDXBPEBP-UHFFFAOYSA-N
PubChem ID : 21205
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.751025
Hydrogen bond donor count : 0 Electric dipole moment : 1.741
XLogP : 7.83 VDW volume : 317.532192
Molecular weight : 270.25588 HOMO-LUMO gap : 11.878000
Herb list :
Refrences & Litretures:
  
520.      Journal:'Pharmacognosy Magazine'      Year:'2013'      Volume:'9'      Page:'58'      DOI:'10.4103/0973-1296.108142'      Title:'Characterization and chemical composition of fatty acids content of watermelon and muskmelon cultivars in Saudi Arabia using gas chromatography/mass spectroscopy'
546.      Journal:'Food Chemistry'      Year:'2007'      Volume:'102'      Page:'1096'      DOI:'10.1016/j.foodchem.2006.06.047'      Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
582.      Journal:'Food Chemistry'      Year:'2007'      Volume:'101'      Page:'1272'      DOI:'10.1016/j.foodchem.2005.12.029'      Title:'Flavour pro?le of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC–MS'
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