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: 29
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
(E,E)-1,3,5-Undecatriene
ScientificNameLabel
(E,E)-1,3,5-Undecatriene
PHCD compound ID :
1217
Chemical Names :
(E,E)-1,3,5-Undecatriene
Molecular Formula :
C11H18
Molecular Weight :
150.140851
More Details :
Names & Synonyms:
(3E,5E)-undeca-1,3,5-triene
Smiles:
CCCCC/C=C/C=C/C=C
InChi :
InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3/b7-5+,11-9+
InChi Key :
InChIKey=JQQDKNVOSLONRS-JEGFTUTRSA-N
PubChem ID :
5367412
Rotatable bond count :
6
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
8.751407
Hydrogen bond donor count :
0
Electric dipole moment :
0.812
XLogP :
5.345
VDW volume :
190.902913
Molecular weight :
150.140851
HOMO-LUMO gap :
8.503000
Herb list :
Galbanum - Ferula gummosa - باريجه، قاسنی
Refrences & Litretures:
125. Journal:'Chemistry of Natural Compounds' Year:'2008' Volume:'44' Page:'124' DOI:'' Title:'STUDY OF THE ESSENTIAL OIL VARIATION OF Ferula gummosa SAMPLES FROM IRAN'
126. Journal:'Chemistry of Natural Compounds' Year:'2005' Volume:'41' Page:'311' DOI:'' Title:'Ferula gummosa FRUITS: AN AROMATIC ANTIMICROBIAL AGENT'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us