Skip Navigation Links
ScientificNameLabel
(2E)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol
PHCD compound ID : 829
Chemical Names :
(2E)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol
Molecular Formula : C20H40O1
Molecular Weight : 296.307916
More Details :
Names & Synonyms: (E)-3,7,11,15-tetramethylhexadec-2-en-1-ol , (E)-3,7,11,15-tetramethyl-2-hexadecen-1-ol
Smiles: OC/C=C(/CCC[C@H](CCC[C@@H](CCCC(C)C)C)C)\C
InChi : InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19+/m1/s1
InChi Key : InChIKey=BOTWFXYSPFMFNR-IHKHCKEISA-N
PubChem ID : 5366244
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 9.507079
Hydrogen bond donor count : 1 Electric dipole moment : 2.416
XLogP : 8.949 VDW volume : 360.629919
Molecular weight : 296.307916 HOMO-LUMO gap : 10.513000
Herb list :
Refrences & Litretures:
  
61.      Journal:'Talanta'      Year:'2008'      Volume:'76'      Page:'878'      DOI:'10.1016/j.talanta.2008.04.050'      Title:'Application of PLE for the determination of essential oil components from Thymus vulgaris L'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us