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ScientificNameLabel
Isoamylisovalerate
PHCD compound ID : 526
Chemical Names :
isopentyl-isovalerate , Isoamyl isovalerate , Isopentyl isovalerate , Isovalerate 3-methylbutyl , Isoamyle isovalerate , Isoamylisovalerate
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: isopentyl 3-methylbutanoate , 3-methylbutanoic acid 3-methylbutyl ester , 3-methylbutyl 3-methylbutanoate , 3-methylbutyric acid isoamyl ester
Smiles: CC(CCOC(=O)CC(C)C)C
InChi : InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3
InChi Key : InChIKey=XINCECQTMHSORG-UHFFFAOYSA-N
PubChem ID : 12613
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.543903
Hydrogen bond donor count : 0 Electric dipole moment : 1.997
XLogP : 3.429 VDW volume : 196.4603
Molecular weight : 172.14633 HOMO-LUMO gap : 11.802000
Herb list :
Refrences & Litretures:
  
31.      Journal:'Global Journal of Pharmacology'      Year:'2013'      Volume:'7'      Page:'377'      DOI:'10.5829/idosi.gjp.2013.7.4.1114'      Title:'Steryl Glycosides, Lipoidal Matter and Volatile Constituents of Urtica pilulifera'
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
151.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'617'      DOI:'10.1080/0972060X.2011.10643980'      Title:'Comparison of Chemical Composition of Achillea eriophora and A. wilhelmsii Grown in Wild and Cultivated Conditions in Iran'
353.      Journal:'Portugaliae Electrochimica Acta'      Year:'2011'      Volume:'29'      Page:'127'      DOI:'10.4152/pea.201102127'      Title:'Fennel (Foeniculum Vulgare) Essential Oil as Green Corrosion Inhibitor of Carbon Steel in Hydrochloric Acid Solution'
364.      Journal:'Food Chemistry'      Year:'2008'      Volume:'110'      Page:'501'      DOI:'10.1016/j.foodchem.2008.02.018'      Title:'Comparative essential oil composition of flowers, leaves and stems of basil (Ocimum basilicum L.) used as herb'
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
496.      Journal:'Flavour Fragr. J'      Year:'2001'      Volume:'16'      Page:'195'      DOI:'10.1002/ffj.977'      Title:'Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. & Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. ?l.) Grierson and the enantiomeric distribution of camphor and carvone'
593.      Journal:'Chemistry of Natural Compounds'      Year:'2012'      Volume:'47'      Page:'1007'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Levisticum officinale GROWING WILD IN IRAN'
851.      Journal:'J. Essent. Oil Res'      Year:'1995'      Volume:'7'      Page:'147'      DOI:'10.1080/10412905.1995.9698489'      Title:'Chemical Composition of Eucalyptus globulus Oils from the Montenegro Coast and East Coast of Spain'
883.      Journal:'Pharmaceutical Biology'      Year:'2004'      Volume:'42'      Page:'360'      DOI:'10.1080/13880200490519677'      Title:'Chemical Composition of Essential Oils from Leaves and Twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey'
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