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ScientificNameLabel
2-ethylhexyl trans-4-methoxycinn
PHCD compound ID : 5425
Chemical Names :
2-ethylhexyl trans-4-methoxycinn
Molecular Formula : C18H26O3
Molecular Weight : 290.188195
More Details :
Names & Synonyms: 2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate , (E)-3-(4-methoxyphenyl)-2-propenoic acid 2-ethylhexyl ester , 2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate , (E)-3-(4-methoxyphenyl)acrylic acid 2-ethylhexyl ester
Smiles: CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC
InChi : InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+/t15-/m1/s1
InChi Key : InChIKey=YBGZDTIWKVFICR-NRMKIYEFSA-N
PubChem ID : 5355130
Rotatable bond count : 10 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.006581
Hydrogen bond donor count : 0 Electric dipole moment : 3.692
XLogP : 4.747 VDW volume : 309.81611
Molecular weight : 290.188195 HOMO-LUMO gap : 8.325000
Herb list :
Refrences & Litretures:
  
897.      Journal:'Journal of Medicinal Plants and By-products'      Year:'2016'      Volume:'2'      Page:'159'      DOI:''      Title:'Essential Oils of Salvia hydrangea DC. ex Benth. from Kiasar-Hezarjarib regions, Iran-Impact of eEnvironmental Factors as Quality Determinants'
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