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ScientificNameLabel
endo-Bornyl butanoate(isomer)
PHCD compound ID : 912
Chemical Names :
endo-Bornyl butanoate(isomer)
Molecular Formula : C14H24O2
Molecular Weight : 224.17763
More Details :
Names & Synonyms: (1,7,7-trimethylnorbornan-2-yl) butanoate , butanoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester , (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) butanoate , butyric acid 2-bornyl ester
Smiles: CCCC(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C
InChi : InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,14+/m0/s1
InChi Key : InChIKey=VIPNQHBVIDJXJE-MISXGVKJSA-N
PubChem ID : 97897
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.270409
Hydrogen bond donor count : 0 Electric dipole moment : 2.111
XLogP : 4.296 VDW volume : 240.931321
Molecular weight : 224.17763 HOMO-LUMO gap : 11.556000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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