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2,6-Dimethyl-3,7-Octadiene-2,6-diol
PHCD compound ID : 667
Chemical Names :
trans-3,7-dimethyl-1,5-octadiene-3,7-diol , 2,6-Dimethyl-3,7-Octadiene-2,6-diol
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: (3E)-2,6-dimethylocta-3,7-diene-2,6-diol
Smiles: C=C[C@](C/C=C/C(O)(C)C)(O)C
InChi : InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+/t10-/m1/s1
InChi Key : InChIKey=QEOHJVNDENHRCH-VQCYPWCPSA-N
PubChem ID : 5352451
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.865619
Hydrogen bond donor count : 2 Electric dipole moment : 3.404
XLogP : 1.014 VDW volume : 193.823841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.683000
Herb list :
Refrences & Litretures:
  
40.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'5408'      DOI:'10.1021/jf030087i'      Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'
183.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'543'      DOI:'10.1080/0972060X.2011.10643971'      Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
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