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ScientificNameLabel
Fragranyl acetate
PHCD compound ID : 5202
Chemical Names :
Fragranyl acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: 2-(2-isopropenyl-1-methyl-cyclobutyl)ethyl acetate , acetic acid 2-[1-methyl-2-(1-methylethenyl)cyclobutyl]ethyl ester , 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate , 2-(1-methyl-2-prop-1-en-2-yl-cyclobutyl)ethyl ethanoate , acetic acid 2-(2-isopropenyl-1-methyl-cyclobutyl)ethyl ester
Smiles: CC(=O)OCC[C@@]1(C)CC[C@@H]1C(=C)C
InChi : InChI=1S/C12H20O2/c1-9(2)11-5-6-12(11,4)7-8-14-10(3)13/h11H,1,5-8H2,2-4H3/t11-,12-/m1/s1
InChi Key : InChIKey=HOTBFDJPUVYSFO-VXGBXAGGSA-N
PubChem ID : 77140901
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.628124
Hydrogen bond donor count : 0 Electric dipole moment : 1.777
XLogP : 3.703 VDW volume : 216.059352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.781000
Herb list :
Refrences & Litretures:
  
823.      Journal:'Asian J Pharm Clin Res'      Year:'2019'      Volume:'12'      Page:'124'      DOI:'10.22159/ajpcr.2019.v12i1.28418'      Title:'BIOACTIVITIES AND CHEMOPROFILING COMPARISONS OF CHENOPODIUM AMBROSIOIDES L. AND CHENOPODIUM BOTRYS L. GROWING IN KASHMIR, INDIA'
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