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ScientificNameLabel
Lavandulyl isovalerate
PHCD compound ID : 176
Chemical Names :
Lavandulyl isovalerate
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: (2-isopropenyl-5-methyl-hex-4-enyl) 3-methylbutanoate , 3-methylbutanoic acid [5-methyl-2-(1-methylethenyl)hex-4-enyl] ester , (5-methyl-2-prop-1-en-2-ylhex-4-enyl) 3-methylbutanoate , (5-methyl-2-prop-1-en-2-yl-hex-4-enyl) 3-methylbutanoate , 3-methylbutyric acid (2-isopropenyl-5-methyl-hex-4-enyl) ester
Smiles: CC(CC(=O)OC[C@H](C(=C)C)CC=C(C)C)C
InChi : InChI=1S/C15H26O2/c1-11(2)7-8-14(13(5)6)10-17-15(16)9-12(3)4/h7,12,14H,5,8-10H2,1-4,6H3/t14-/m1/s1
InChi Key : InChIKey=WFRXIBJXHAPSPP-CQSZACIVSA-N
PubChem ID : 527271
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.267650
Hydrogen bond donor count : 0 Electric dipole moment : 2.225
XLogP : 4.268 VDW volume : 277.667305
Molecular weight : 238.19328 HOMO-LUMO gap : 10.476000
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'
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
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