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ScientificNameLabel
(-)-Myrtenyl acetate
PHCD compound ID : 5457
Chemical Names :
(-)-Myrtenyl acetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl acetate , acetic acid [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl ester , [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl acetate , [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl ethanoate
Smiles: CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C
InChi : InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1
InChi Key : InChIKey=BKATZVAUANSCKN-QWRGUYRKSA-N
PubChem ID : 12635160
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.429000
Hydrogen bond donor count : 0 Electric dipole moment : 2.588
XLogP : 3.036 VDW volume : 203.702893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.105000
Herb list :
Refrences & Litretures:
  
909.      Journal:'Adv Pharm Bull'      Year:'2016'      Volume:'6'      Page:'163'      DOI:'10.15171/apb.2016.023'      Title:'Essential Oil from Flowers and Leaves of Elaeagnus Angustifolia (Elaeagnaceae): Composition, Radical Scavenging and General Toxicity Activities'
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