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ScientificNameLabel
Phenyl ethly octanoate
PHCD compound ID : 4315
Chemical Names :
Phenyl ethly octanoate , Octanoic acid,2-phenylethyl ester
Molecular Formula : C16H24O2
Molecular Weight : 248.17763
More Details :
Names & Synonyms: 2-phenylethyl octanoate , octanoic acid 2-phenylethyl ester , caprylic acid phenethyl ester
Smiles: CCCCCCCC(=O)OCCc1ccccc1
InChi : InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
InChi Key : InChIKey=ASETYIALRXDVDF-UHFFFAOYSA-N
PubChem ID : 229888
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.409082
Hydrogen bond donor count : 0 Electric dipole moment : 1.764
XLogP : 5.011 VDW volume : 269.070373
Molecular weight : 248.17763 HOMO-LUMO gap : 9.765000
Herb list :
Refrences & Litretures:
  
632.      Journal:'J. Med. Plants Res'      Year:'2012'      Volume:'6'      Page:'5495'      DOI:'10.5897/JMPR12.318'      Title:'Analysis of essential oil from nine distinct genotypes of Iranian Damask rose (Rosa damascena Mill)'
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
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