Skip Navigation Links
ScientificNameLabel
trans-Sobrerol
PHCD compound ID : 904
Chemical Names :
trans-Sobrerol
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: (1S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-cyclohex-2-en-1-ol , (1S,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-1-cyclohex-2-enol , (1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol , (1S,5R)-2-methyl-5-(2-oxidanylpropan-2-yl)cyclohex-2-en-1-ol
Smiles: CC1=CC[C@H](C[C@@H]1O)C(O)(C)C
InChi : InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m1/s1
InChi Key : InChIKey=OMDMTHRBGUBUCO-BDAKNGLRSA-N
PubChem ID : 854498
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.578737
Hydrogen bond donor count : 2 Electric dipole moment : 0.530
XLogP : 0.761 VDW volume : 184.103841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.497000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us