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ScientificNameLabel
Cedroxyde
PHCD compound ID : 1077
Chemical Names :
Cedroxyde
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (4E,8E)-4,8,12-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
Smiles: CC1=CCC[C@@]2(C)O[C@@H]2CCC(=CCC1)C
InChi : InChI=1S/C15H24O/c1-12-6-4-7-13(2)9-10-14-15(3,16-14)11-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3/b12-8+,13-7+/t14-,15-/m1/s1
InChi Key : InChIKey=PAZWFUGWOAQBJJ-OOAVEQBLSA-N
PubChem ID : 6436727
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.159930
Hydrogen bond donor count : 0 Electric dipole moment : 2.822
XLogP : 4.029 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.433000
Herb list :
Refrences & Litretures:
  
110.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'346'      DOI:'10.1080/0972060X.2013.813237'      Title:'Comparison of Essential Oil Composition in Dracocephalum moldavica in Greenhouse and Field'
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