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ScientificNameLabel
Dehydro-sesquicineol
PHCD compound ID : 4195
Chemical Names :
Dehydro-sesquicineol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1R,4R)-2,4-dimethyl-2-(4-methylpent-3-enyl)-3-oxabicyclo[2.2.2]oct-5-ene
Smiles: CC(=CCC[C@@]1(C)O[C@]2(C)CC[C@H]1C=C2)C
InChi : InChI=1S/C15H24O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6-7,10,13H,5,8-9,11H2,1-4H3/t13-,14+,15-/m1/s1
InChi Key : InChIKey=VLUGOADEEDGFLB-QLFBSQMISA-N
PubChem ID : 6430797
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.131512
Hydrogen bond donor count : 0 Electric dipole moment : 1.539
XLogP : 3.75 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.115000
Herb list :
Refrences & Litretures:
  
600.      Journal:'Industrial Crops and Products'      Year:'2014'      Volume:'54'      Page:'130'      DOI:'10.1016/j.indcrop.2014.01.015'      Title:'Variability in essential oil of Teucrium polium L. of different latitudinal populations'
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