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ScientificNameLabel
trans-2,3-Pinanediol
PHCD compound ID : 5443
Chemical Names :
trans-2,3-Pinanediol
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: 2,6,6-trimethylnorpinane-2,3-diol , 2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
Smiles: O[C@H]1C[C@H]2C[C@@H]([C@]1(C)O)C2(C)C
InChi : InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10+/m1/s1
InChi Key : InChIKey=MOILFCKRQFQVFS-ODXREFDESA-N
PubChem ID : 62044
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.024955
Hydrogen bond donor count : 2 Electric dipole moment : 1.392
XLogP : 1.944 VDW volume : 174.383841
Molecular weight : 170.13068 HOMO-LUMO gap : 12.648000
Herb list :
Refrences & Litretures:
  
905.      Journal:'Natural Product Communications'      Year:'2008'      Volume:'3'      Page:'1121'      DOI:'10.1177/1934578X0800300716'      Title:'Essential Oil Composition of Eryngium campestre L. Growing in Different Soil Types. A Preliminary Study'
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