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ScientificNameLabel
(Z)-Sabinyl acetate
PHCD compound ID : 4536
Chemical Names :
(Z)-Sabinyl acetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: [(1S,3S)-1-isopropyl-4-methylene-3-bicyclo[3.1.0]hexanyl] acetate , acetic acid [(1S,3S)-4-methylene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] ester , [(1S,3S)-4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate , [(1S,3S)-4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] ethanoate , acetic acid [(1S,3S)-1-isopropyl-4-methylene-3-bicyclo[3.1.0]hexanyl] ester
Smiles: CC(=O)O[C@H]1C[C@]2([C@@H](C1=C)C2)C(C)C
InChi : InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3/t10-,11+,12+/m1/s1
InChi Key : InChIKey=PBWRFXQNNGSAQG-WOPDTQHZSA-N
PubChem ID : 6428460
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.783362
Hydrogen bond donor count : 0 Electric dipole moment : 2.001
XLogP : 2.932 VDW volume : 203.702893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.476000
Herb list :
Refrences & Litretures:
  
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
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