Skip Navigation Links
ScientificNameLabel
isothujyl alcohol
PHCD compound ID : 1480
Chemical Names :
iso-3-Thujyl acetate , isothujyl alcohol
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: (1-isopropyl-4-methyl-3-bicyclo[3.1.0]hexanyl) acetate , acetic acid (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) ester , (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate , (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) ethanoate , acetic acid (1-isopropyl-4-methyl-3-bicyclo[3.1.0]hexanyl) ester
Smiles: CC(=O)O[C@H]1C[C@@]2([C@H]([C@@H]1C)C2)C(C)C
InChi : InChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3/t8-,10-,11-,12+/m0/s1
InChi Key : InChIKey=RYMWIDNPMDLHRP-PDEGPIFNSA-N
PubChem ID : 524251
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.179844
Hydrogen bond donor count : 0 Electric dipole moment : 2.016
XLogP : 3.587 VDW volume : 206.339352
Molecular weight : 196.14633 HOMO-LUMO gap : 11.378000
Herb list :
Refrences & Litretures:
  
159.      Journal:'CHEMIJA'      Year:'2006'      Volume:'17'      Page:'12'      DOI:''      Title:'Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania'
596.      Journal:'J. Essent. Oil Res'      Year:'2008'      Volume:'20'      Page:'318'      DOI:'10.1080/10412905.2008.9700022'      Title:'Composition of the Essential Oil of Levisticum Offcinale W.D.J. Koch from Some European Countries'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us