Skip Navigation Links
ScientificNameLabel
Caryophellene oxide
PHCD compound ID : 834
Chemical Names :
Caryophellene oxide , Caryophyllene oxide alpha+beta
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@H]1CC2(C)C)C
InChi : InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1
InChi Key : InChIKey=NVEQFIOZRFFVFW-SFDCQRBFSA-N
PubChem ID : 6604672
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.697678
Hydrogen bond donor count : 0 Electric dipole moment : 2.085
XLogP : 4.607 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.814000
Herb list :
Refrences & Litretures:
  
62.      Journal:'Int. J. Agric. Biol'      Year:'2009'      Volume:'11'      Page:'205'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Thyme (Thymus vulgaris) from Eastern Morocco'
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us