Skip Navigation Links
ScientificNameLabel
Benzene,(1,3-dimethyl-3-butenyl)
PHCD compound ID : 5136
Chemical Names :
Benzene,(1,3-dimethyl-3-butenyl)
Molecular Formula : C12H16
Molecular Weight : 160.125201
More Details :
Names & Synonyms: 1,3-dimethylbut-3-enylbenzene , 4-methylpent-4-en-2-ylbenzene
Smiles: C[C@@H](c1ccccc1)CC(=C)C
InChi : InChI=1S/C12H16/c1-10(2)9-11(3)12-7-5-4-6-8-12/h4-8,11H,1,9H2,2-3H3/t11-/m1/s1
InChi Key : InChIKey=YFXZXGKNNUQNOO-LLVKDONJSA-N
PubChem ID : 569759
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.389279
Hydrogen bond donor count : 0 Electric dipole moment : 1.050
XLogP : 4.276 VDW volume : 182.305981
Molecular weight : 160.125201 HOMO-LUMO gap : 9.782000
Herb list :
Refrences & Litretures:
  
813.      Journal:'J Biomedical Sci'      Year:'2018'      Volume:'7'      Page:'1'      DOI:'10.4172/2254-609X.100089'      Title:'Antioxidative Activity Of Essential Oil Of Flowers Of Tea (Camellia Sinensis L.) Plants Extracted By Supercritical Carbon Dioxide'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us