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ScientificNameLabel
5-oxy-Isobornyl isobutanoate
PHCD compound ID : 2147
Chemical Names :
5-oxy-Isobornyl isobutanoate
Molecular Formula : C14H24O2
Molecular Weight : 224.17763
More Details :
Names & Synonyms: (4,7,7-trimethylnorbornan-2-yl) 2-methylpropanoate , 2-methylpropanoic acid (4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) ester , (4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate , 2-methylpropionic acid 3-bornyl ester
Smiles: CC(C(=O)O[C@H]1C[C@]2(C([C@@H]1CC2)(C)C)C)C
InChi : InChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-14(5)7-6-10(11)13(14,3)4/h9-11H,6-8H2,1-5H3/t10-,11+,14+/m1/s1
InChi Key : InChIKey=VRMZPKNTXLDYCW-SUNKGSAMSA-N
PubChem ID : 6430692
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.313705
Hydrogen bond donor count : 0 Electric dipole moment : 2.053
XLogP : 4.231 VDW volume : 240.931321
Molecular weight : 224.17763 HOMO-LUMO gap : 11.611000
Herb list :
Refrences & Litretures:
  
255.      Journal:'chemija'      Year:'2009'      Volume:'20'      Page:'190'      DOI:''      Title:'Analysis of the chemical composition of fower essential oils from Arnica montana of Lithuanian origin'
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