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ScientificNameLabel
cis-Citronellyl tiglate
PHCD compound ID : 5362
Chemical Names :
cis-Citronellyl tiglate
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: 3,7-dimethyloct-6-enyl (Z)-2-methylbut-2-enoate , (Z)-2-methyl-2-butenoic acid 3,7-dimethyloct-6-enyl ester , 3,7-dimethyloct-6-enyl (Z)-2-methylbut-2-enoate , (Z)-2-methylbut-2-enoic acid 3,7-dimethyloct-6-enyl ester
Smiles: C/C=C(\C(=O)OCC[C@@H](CCC=C(C)C)C)/C
InChi : InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6-/t13-/m1/s1
InChi Key : InChIKey=UCFQYMKLDPWFHZ-KKMLBMJLSA-N
PubChem ID : 5367752
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.089549
Hydrogen bond donor count : 0 Electric dipole moment : 1.900
XLogP : 5.023 VDW volume : 277.667305
Molecular weight : 238.19328 HOMO-LUMO gap : 9.559000
Herb list :
Refrences & Litretures:
  
877.      Journal:'Journal of Applied Pharmaceutical Science'      Year:'2014'      Volume:'4'      Page:'1'      DOI:'10.7324/JAPS.2014.40301'      Title:'Chemical composition, antifungal and antioxidant activity of Pelargonium graveolens essential oil'
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