Skip Navigation Links
ScientificNameLabel
2,4,4,6-Tetramethyl-6-phenyl-1-heptene
PHCD compound ID : 4132
Chemical Names :
2,4,4,6-Tetramethyl-6-phenyl-1-heptene
Molecular Formula : C17H26
Molecular Weight : 230.203451
More Details :
Names & Synonyms: 1,1,3,3,5-pentamethylhex-5-enylbenzene , 2,4,4,6-tetramethylhept-6-en-2-ylbenzene
Smiles: CC(=C)CC(CC(c1ccccc1)(C)C)(C)C
InChi : InChI=1S/C17H26/c1-14(2)12-16(3,4)13-17(5,6)15-10-8-7-9-11-15/h7-11H,1,12-13H2,2-6H3
InChi Key : InChIKey=GGNWWRNBJGWQPS-UHFFFAOYSA-N
PubChem ID : 576730
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.286315
Hydrogen bond donor count : 0 Electric dipole moment : 1.277
XLogP : 6.94 VDW volume : 268.785904
Molecular weight : 230.203451 HOMO-LUMO gap : 9.645000
Herb list :
Refrences & Litretures:
  
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us