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ScientificNameLabel
Kessanyl acetate
PHCD compound ID : 3340
Chemical Names :
Kessanyl acetate
Molecular Formula : C17H28O3
Molecular Weight : 280.203845
More Details :
Names & Synonyms:
Smiles: CC(=O)O[C@H]1C[C@]2(C)OC([C@H]1C[C@H]1[C@H]2CC[C@H]1C)(C)C
InChi : InChI=1S/C17H28O3/c1-10-6-7-13-12(10)8-14-15(19-11(2)18)9-17(13,5)20-16(14,3)4/h10,12-15H,6-9H2,1-5H3/t10-,12-,13-,14+,15+,17+/m1/s1
InChi Key : InChIKey=CGBOQYJQRLRGIE-QFCZPAJMSA-N
PubChem ID : 101635456
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.500539
Hydrogen bond donor count : 0 Electric dipole moment : 2.040
XLogP : 4.205 VDW volume : 289.253043
Molecular weight : 280.203845 HOMO-LUMO gap : 10.669000
Herb list :
Refrences & Litretures:
  
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
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