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ScientificNameLabel
Amyl isovalerate
PHCD compound ID : 4121
Chemical Names :
n-Amyl isovalerate , Amyl isovalerate
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: pentyl 3-methylbutanoate , 3-methylbutanoic acid pentyl ester , 3-methylbutyric acid amyl ester
Smiles: CCCCCOC(=O)CC(C)C
InChi : InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
InChi Key : InChIKey=QURFFFCYNQXLCU-UHFFFAOYSA-N
PubChem ID : 95978
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.586009
Hydrogen bond donor count : 0 Electric dipole moment : 2.070
XLogP : 3.49 VDW volume : 196.4603
Molecular weight : 172.14633 HOMO-LUMO gap : 11.811000
Herb list :
Refrences & Litretures:
  
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
648.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'841'      DOI:'10.1080/0972060X.2013.862078'      Title:'Essential Oil Composition of Some Wild Populations of Heracleum persicum Desf. Ex Fischer Growing in Iran'
723.      Journal:'Songklanakarin J. Sci. Technol'      Year:'2014'      Volume:'36'      Page:'83'      DOI:''      Title:'Chemical composition and antimicrobial activity of peppermint (Mentha piperita L.) Essential oil'
837.      Journal:'Industrial Crops & Products'      Year:'2017'      Volume:'109'      Page:'53'      DOI:'10.1016/j.indcrop.2017.08.007'      Title:'Essential oil content and composition of Vitex pseudo-negundo in Iran varies with ecotype and plant organ'
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