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: 38
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
(3Z,6Z,9Z)-Tetradecatriene
ScientificNameLabel
(3Z,6Z,9Z)-Tetradecatriene
PHCD compound ID :
1689
Chemical Names :
(3Z,6Z,9Z)-Tetradecatriene
Molecular Formula :
C14H24
Molecular Weight :
192.187801
More Details :
Names & Synonyms:
Smiles:
CCCC/C=C\C/C=C\C/C=C\CC
InChi :
InChI=1S/C14H24/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h5,7,10-13H,3-4,6,8-9,14H2,1-2H3/b7-5-,12-10-,13-11-
InChi Key :
InChIKey=PUWDEJHETOHCMH-DMGCZJCWSA-N
PubChem ID :
Rotatable bond count :
8
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
9.454082
Hydrogen bond donor count :
0
Electric dipole moment :
0.792
XLogP :
7.136
VDW volume :
242.790867
Molecular weight :
192.187801
HOMO-LUMO gap :
10.497000
Herb list :
Colt's foot, Horse hoof - Tussilago farfara - پای خر
Refrences & Litretures:
190. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'413' DOI:'' Title:'Volatile Oils of Flowers and Stems of Tussilago farfara L. from Lithuania'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us