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: 47
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Octene
ScientificNameLabel
Octene
PHCD compound ID :
1456
Chemical Names :
1-Octene , Octene
Molecular Formula :
C8H16
Molecular Weight :
112.125201
More Details :
Names & Synonyms:
oct-1-ene , 1-octene
Smiles:
CCCCCCC=C
InChi :
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InChi Key :
InChIKey=KWKAKUADMBZCLK-UHFFFAOYSA-N
PubChem ID :
8125
Rotatable bond count :
5
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
10.094487
Hydrogen bond donor count :
0
Electric dipole moment :
0.568
XLogP :
4.526
VDW volume :
144.287877
Molecular weight :
112.125201
HOMO-LUMO gap :
11.237000
Herb list :
Mugwort, Mugwood - Artemisia vulgaris - برنجاسف، درمنه معمولی
Refrences & Litretures:
155. Journal:'EJEAFChe' Year:'2012' Volume:'11' Page:'493' DOI:'' Title:'CHEMICAL COMPOSITION OF ESSENTIAL OIL OF ARTEMISIA VULGARIS FROM WEST AZERBAIJAN, IRAN'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us