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ScientificNameLabel
Epoxy-linalooloxide
PHCD compound ID : 1086
Chemical Names :
Epoxy-linalooloxide
Molecular Formula : C10H18O3
Molecular Weight : 186.125594
More Details :
Names & Synonyms: 4-(3,3-dimethyloxiran-2-yl)-2-(oxiran-2-yl)butan-2-ol , 4-(3,3-dimethyl-2-oxiranyl)-2-(2-oxiranyl)-2-butanol
Smiles: CC1(C)O[C@H]1CC[C@]([C@H]1CO1)(O)C
InChi : InChI=1S/C10H18O3/c1-9(2)7(13-9)4-5-10(3,11)8-6-12-8/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChi Key : InChIKey=WNUGGHMAJKRDQE-QXFUBDJGSA-N
PubChem ID : 537453
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.178258
Hydrogen bond donor count : 1 Electric dipole moment : 3.831
XLogP : 0.822 VDW volume : 183.174068
Molecular weight : 186.125594 HOMO-LUMO gap : 12.145000
Herb list :
Refrences & Litretures:
  
111.      Journal:'Pharmaceutical sciences'      Year:'2013'      Volume:'18'      Page:'187'      DOI:''      Title:'Chemical Composition and Antinociceptive Effect of the Essential Oil of Dracocephalum moldavica L'
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