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3,4-Dimethyl-hexan-3,4-diol
PHCD compound ID : 5384
Chemical Names :
3,4-Dimethyl-hexan-3,4-diol
Molecular Formula : C8H18O2
Molecular Weight : 146.13068
More Details :
Names & Synonyms: 3,4-dimethylhexane-3,4-diol
Smiles: CC[C@]([C@@](CC)(O)C)(O)C
InChi : InChI=1S/C8H18O2/c1-5-7(3,9)8(4,10)6-2/h9-10H,5-6H2,1-4H3/t7-,8-/m1/s1
InChi Key : InChIKey=RJOVKNVJGPMWDT-HTQZYQBOSA-N
PubChem ID : 223377
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.832833
Hydrogen bond donor count : 2 Electric dipole moment : 0.631
XLogP : 1.262 VDW volume : 164.504789
Molecular weight : 146.13068 HOMO-LUMO gap : 12.625000
Herb list :
Refrences & Litretures:
  
888.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1996'      Volume:'11'      Page:'57'      DOI:'10.1002/(SICI)1099-1026(199601)11:1<57::AID-FFJ549>3.0.CO;2-K'      Title:'Volatile Components of the Rhizomes of Rheum palmatum L'
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