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ScientificNameLabel
3-Buten-2-ol.4-(2.6.6-trimethyl-2-cyclohexen-1-yl)-
PHCD compound ID : 3807
Chemical Names :
3-Buten-2-ol.4-(2.6.6-trimethyl-2-cyclohexen-1-yl)-
Molecular Formula : C13H22O1
Molecular Weight : 194.167065
More Details :
Names & Synonyms: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol , (E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-2-ol
Smiles: C[C@H](/C=C/[C@@H]1C(=CCCC1(C)C)C)O
InChi : InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+/t11-,12-/m1/s1
InChi Key : InChIKey=PWDOJWCZWKWKSE-IDDPWSFUSA-N
PubChem ID : 5363817
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.191243
Hydrogen bond donor count : 1 Electric dipole moment : 1.853
XLogP : 4.271 VDW volume : 224.565109
Molecular weight : 194.167065 HOMO-LUMO gap : 10.190000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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