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ScientificNameLabel
methyl caprate
PHCD compound ID : 2117
Chemical Names :
methyl decanoate , Methyl caprinate , methyl caprate
Molecular Formula : C11H22O2
Molecular Weight : 186.16198
More Details :
Names & Synonyms: methyl decanoate , decanoic acid methyl ester , capric acid methyl ester
Smiles: CCCCCCCCCC(=O)OC
InChi : InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
InChi Key : InChIKey=YRHYCMZPEVDGFQ-UHFFFAOYSA-N
PubChem ID : 8050
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.794878
Hydrogen bond donor count : 0 Electric dipole moment : 1.787
XLogP : 4.477 VDW volume : 213.756284
Molecular weight : 186.16198 HOMO-LUMO gap : 11.923000
Herb list :
Refrences & Litretures:
  
251.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'318'      DOI:'10.1080/10412905.2004.9698731'      Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
535.      Journal:'Journal of Food Composition and Analysis'      Year:'2010'      Volume:'23'      Page:'706'      DOI:'10.1016/j.jfca.2010.02.008'      Title:'Phenolic, alpha-tocopherol, beta-carotene and fatty acid composition of four promising jujube (Ziziphus jujuba Miller) selections'
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
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