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ScientificNameLabel
Ethyl trans-2-dodecenoate
PHCD compound ID : 1567
Chemical Names :
Ethyl trans-2-dodecenoate
Molecular Formula : C14H26O2
Molecular Weight : 226.19328
More Details :
Names & Synonyms: ethyl (E)-dodec-2-enoate , (E)-2-dodecenoic acid ethyl ester , (E)-dodec-2-enoic acid ethyl ester
Smiles: CCCCCCCCC/C=C/C(=O)OCC
InChi : InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h12-13H,3-11H2,1-2H3/b13-12+
InChi Key : InChIKey=GZXNVYMVJSTRNI-OUKQBFOZSA-N
PubChem ID : 11287580
Rotatable bond count : 11 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.478997
Hydrogen bond donor count : 0 Electric dipole moment : 2.068
XLogP : 5.927 VDW volume : 263.007779
Molecular weight : 226.19328 HOMO-LUMO gap : 10.452000
Herb list :
Refrences & Litretures:
  
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
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