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ScientificNameLabel
1-Octen-3-ylacetate
PHCD compound ID : 1047
Chemical Names :
1-octen-3-yl-acetate , 1-Octen-3-yl acetate , 1-Octen-3-ylacetate
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: 1-vinylhexyl acetate , acetic acid oct-1-en-3-yl ester , oct-1-en-3-yl acetate , oct-1-en-3-yl ethanoate , acetic acid 1-amylallyl ester
Smiles: CCCCC[C@H](OC(=O)C)C=C
InChi : InChI=1S/C10H18O2/c1-4-6-7-8-10(5-2)12-9(3)11/h5,10H,2,4,6-8H2,1,3H3/t10-/m1/s1
InChi Key : InChIKey=DOJDQRFOTHOBEK-SNVBAGLBSA-N
PubChem ID : 17121
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.368582
Hydrogen bond donor count : 0 Electric dipole moment : 1.997
XLogP : 3.447 VDW volume : 193.823841
Molecular weight : 170.13068 HOMO-LUMO gap : 11.144000
Herb list :
Refrences & Litretures:
  
108.      Journal:'Journal of Medicinal Plants Studies'      Year:'2015'      Volume:'3'      Page:'61'      DOI:''      Title:'Changes in content and chemical composition of Dracocephalum moldavica L. essential oil at different harvest dates'
222.      Journal:'Journal of Herbal Drugs'      Year:'2014'      Volume:'5'      Page:'33'      DOI:''      Title:'Essential oil composition of Pennyroyal (Mentha pulegium L.) from Southern Iran'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
776.      Journal:'International Journal of Agriculture and Crop Sciences'      Year:'2013'      Volume:'5'      Page:'828'      DOI:''      Title:'Comparison of Salvia sclarea L. Essential Oil Components in Wild and Field Population'
778.      Journal:'Industrial Crops and Products'      Year:'2013'      Volume:'49'      Page:'97'      DOI:'10.1016/j.indcrop.2013.04.029'      Title:'Influence of storage conditions on the essential oil composition ofThymus daenensis Celak'
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