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ScientificNameLabel
Beta-Terpinyl acetate
PHCD compound ID : 1256
Chemical Names :
Beta-Terpinyl acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: (4-isopropenyl-1-methyl-cyclohexyl) acetate , acetic acid [1-methyl-4-(1-methylethenyl)cyclohexyl] ester , (1-methyl-4-prop-1-en-2-ylcyclohexyl) acetate , (1-methyl-4-prop-1-en-2-yl-cyclohexyl) ethanoate , acetic acid (4-isopropenyl-1-methyl-cyclohexyl) ester
Smiles: CC(=O)O[C@]1(C)CC[C@@H](CC1)C(=C)C
InChi : InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3/t11-,12+
InChi Key : InChIKey=URVNHQCLMBMWIW-TXEJJXNPSA-N
PubChem ID : 88693
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.694428
Hydrogen bond donor count : 0 Electric dipole moment : 2.063
XLogP : 3.255 VDW volume : 216.059352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.917000
Herb list :
Refrences & Litretures:
  
130.      Journal:'J. Sci. Res'      Year:'2009'      Volume:'1'      Page:'387'      DOI:'10.3329/jsr.v1i2.1760'      Title:'Constituents of Peel and Leaf Essential Oils of Citrus Medica L'
272.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2014'      Volume:'11'      Page:'1449'      DOI:''      Title:'Chemical Constituents and Activities of the Essential Oil from Myristica fragrans against Cigarette Beetle Lasioderma serricorne'
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