Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 42
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
4-(E)-Octene
ScientificNameLabel
4-(E)-Octene
PHCD compound ID :
4199
Chemical Names :
4-(E)-Octene
Molecular Formula :
C8H16
Molecular Weight :
112.125201
More Details :
Names & Synonyms:
(E)-oct-4-ene , (E)-4-octene
Smiles:
CCC/C=C/CCC
InChi :
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
InChi Key :
InChIKey=IRUCBBFNLDIMIK-BQYQJAHWSA-N
PubChem ID :
5357253
Rotatable bond count :
4
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
9.582994
Hydrogen bond donor count :
0
Electric dipole moment :
0.013
XLogP :
4.376
VDW volume :
144.287877
Molecular weight :
112.125201
HOMO-LUMO gap :
10.821000
Herb list :
Artichoke - Cynara scolymus - کنگر فرنگی، آرتیشو
Refrences & Litretures:
605. Journal:'J Sci Food Agric' Year:'2013' Volume:'93' Page:'2494' DOI:'10.1002/jsfa.6065' Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us