Skip Navigation Links
ScientificNameLabel
1,2-Epoxyhumulene
PHCD compound ID : 2882
Chemical Names :
1,2-Epoxyhumulene
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (4E)-3,3,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene
Smiles: C[C@@H]1CCC[C@@]2(C)O[C@H]2CC(C=CC1)(C)C
InChi : InChI=1S/C15H26O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,9,12-13H,6-8,10-11H2,1-4H3/b9-5+/t12-,13-,15+/m0/s1
InChi Key : InChIKey=MNJMQINRKGQYTP-AMYBMHOCSA-N
PubChem ID : 6432846
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.529159
Hydrogen bond donor count : 0 Electric dipole moment : 2.248
XLogP : 5.276 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.712000
Herb list :
Refrences & Litretures:
  
364.      Journal:'Food Chemistry'      Year:'2008'      Volume:'110'      Page:'501'      DOI:'10.1016/j.foodchem.2008.02.018'      Title:'Comparative essential oil composition of flowers, leaves and stems of basil (Ocimum basilicum L.) used as herb'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us