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ScientificNameLabel
Linalyl iso-valerate
PHCD compound ID : 132
Chemical Names :
Linalyl iso-valerate
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: (1,5-dimethyl-1-vinyl-hex-4-enyl) 3-methylbutanoate , 3-methylbutanoic acid 3,7-dimethylocta-1,6-dien-3-yl ester , 3,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate , 3-methylbutyric acid (1,5-dimethyl-1-vinyl-hex-4-enyl) ester
Smiles: C=C[C@@](OC(=O)CC(C)C)(CCC=C(C)C)C
InChi : InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3/t15-/m1/s1
InChi Key : InChIKey=WCDGWAIZRYMVOW-OAHLLOKOSA-N
PubChem ID : 240119
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.239691
Hydrogen bond donor count : 0 Electric dipole moment : 2.302
XLogP : 4.538 VDW volume : 277.667305
Molecular weight : 238.19328 HOMO-LUMO gap : 10.236000
Herb list :
Refrences & Litretures:
  
6.      Journal:'Photochemistry and Photobiology'      Year:'2014'      Volume:'90'      Page:'702'      DOI:'10.1111/php.12229'      Title:'Biochemical Composition and Antioxidant Properties of Lavandula angustifolia Miller Essential Oil are Shielded by Propolis Against UV Radiations'
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