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5-Hydroxy-1,8-cineole
PHCD compound ID : 899
Chemical Names :
5-Hydroxy-1,8-cineole
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-6-ol
Smiles: O[C@@H]1C[C@]2(C)CC[C@H]1C(O2)(C)C
InChi : InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1
InChi Key : InChIKey=WHIKIYRWRMRQNK-MRTMQBJTSA-N
PubChem ID : 439906
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.535754
Hydrogen bond donor count : 1 Electric dipole moment : 1.479
XLogP : 1.565 VDW volume : 174.383841
Molecular weight : 170.13068 HOMO-LUMO gap : 12.090000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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