Skip Navigation Links
ScientificNameLabel
3,5-di-tert-butylcatechol
PHCD compound ID : 4650
Chemical Names :
3,5-di-tert-butylcatechol
Molecular Formula : C14H22O2
Molecular Weight : 222.16198
More Details :
Names & Synonyms: 3,5-ditert-butylbenzene-1,2-diol , 3,5-ditert-butylpyrocatechol
Smiles: Oc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
InChi : InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3
InChi Key : InChIKey=PJZLSMMERMMQBJ-UHFFFAOYSA-N
PubChem ID : 66099
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.582258
Hydrogen bond donor count : 2 Electric dipole moment : 2.939
XLogP : 4.416 VDW volume : 237.114862
Molecular weight : 222.16198 HOMO-LUMO gap : 8.857000
Herb list :
Refrences & Litretures:
  
734.      Journal:'Botanical Sciences'      Year:'2015'      Volume:'93'      Page:'633'      DOI:'10.17129/botsci.143'      Title:'CHEMICAL COMPOSITION OF SCENTED EXTRACTS OBTAINED FROM CALENDULA OFFICINALIS BY THREE EXTRACTION METHODS'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us