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ScientificNameLabel
Phytene
PHCD compound ID : 2586
Chemical Names :
Phytene
Molecular Formula : C20H40
Molecular Weight : 280.313001
More Details :
Names & Synonyms: 3,7,11,15-tetramethylhexadec-1-ene , 3,7,11,15-tetramethyl-1-hexadecene
Smiles: C=C[C@@H](CCC[C@H](CCC[C@@H](CCCC(C)C)C)C)C
InChi : InChI=1S/C20H40/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17-20H,1,8-16H2,2-6H3/t18-,19+,20+/m0/s1
InChi Key : InChIKey=XQNRAQZFPXUCOT-XUVXKRRUSA-N
PubChem ID : 529408
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 10.026552
Hydrogen bond donor count : 0 Electric dipole moment : 0.504
XLogP : 11.106 VDW volume : 351.839693
Molecular weight : 280.313001 HOMO-LUMO gap : 11.251000
Herb list :
Refrences & Litretures:
  
300.      Journal:'Natural Product Research'      Year:'2010'      Volume:'24'      Page:'1704'      DOI:'10.1080/14786410902884933'      Title:'Phytochemical analysis and allelopathic activity of essential oils of Ecballium elaterium A. Richard growing in Iran'
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