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: 40
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
1-Tridecene
ScientificNameLabel
1-Tridecene
PHCD compound ID :
1690
Chemical Names :
1-Tridecene
Molecular Formula :
C13H26
Molecular Weight :
182.203451
More Details :
Names & Synonyms:
tridec-1-ene , 1-tridecene
Smiles:
CCCCCCCCCCCC=C
InChi :
InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3
InChi Key :
InChIKey=VQOXUMQBYILCKR-UHFFFAOYSA-N
PubChem ID :
17095
Rotatable bond count :
10
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
10.096675
Hydrogen bond donor count :
0
Electric dipole moment :
0.579
XLogP :
7.371
VDW volume :
230.7678
Molecular weight :
182.203451
HOMO-LUMO gap :
11.237000
Herb list :
Colt's foot, Horse hoof - Tussilago farfara - پای خر
Elecampane, Inula - Inula helenium - زنجبیل شامی، مصفا
Oxtongue flower - Echium amoenum - گل گاو زبان
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'
385. Journal:'Eur J Clin Microbiol Infect Dis' Year:'2012' Volume:'31' Page:'1015' DOI:'10.1007/s10096-011-1400-1' Title:'Antistaphylococcal activity of Inula helenium L. root essential oil: eudesmane sesquiterpene lactones induce cell membrane damage'
644. Journal:'Int. J. Biosci' Year:'2015' Volume:'6' Page:'156' DOI:'' Title:'Essential oil constituents and fatty acids in Echium amoenum grown wild in Iran'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us