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ScientificNameLabel
Lavandulyl isobutyrate
PHCD compound ID : 174
Chemical Names :
Lavandulyl isobutyrate
Molecular Formula : C14H24O2
Molecular Weight : 224.17763
More Details :
Names & Synonyms: (2-isopropenyl-5-methyl-hex-4-enyl) 2-methylpropanoate , 2-methylpropanoic acid [5-methyl-2-(1-methylethenyl)hex-4-enyl] ester , (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 2-methylpropanoate , (5-methyl-2-prop-1-en-2-yl-hex-4-enyl) 2-methylpropanoate , 2-methylpropionic acid (2-isopropenyl-5-methyl-hex-4-enyl) ester
Smiles: CC(=CC[C@H](C(=C)C)COC(=O)C(C)C)C
InChi : InChI=1S/C14H24O2/c1-10(2)7-8-13(11(3)4)9-16-14(15)12(5)6/h7,12-13H,3,8-9H2,1-2,4-6H3/t13-/m0/s1
InChi Key : InChIKey=HPBLXFPAJRUZKY-ZDUSSCGKSA-N
PubChem ID : 527270
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.263937
Hydrogen bond donor count : 0 Electric dipole moment : 1.070
XLogP : 3.484 VDW volume : 260.371321
Molecular weight : 224.17763 HOMO-LUMO gap : 10.468000
Herb list :
Refrences & Litretures:
  
9.      Journal:'Food Chemistry'      Year:'2009'      Volume:'112'      Page:'1072'      DOI:'10.1016/j.foodchem.2008.07.015'      Title:'Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: Comparison of three different extraction methods'
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