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: 31
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
1-Undecene
ScientificNameLabel
1-Undecene
PHCD compound ID :
3030
Chemical Names :
1-Undecene
Molecular Formula :
C11H22
Molecular Weight :
154.172151
More Details :
Names & Synonyms:
undec-1-ene , 1-undecene
Smiles:
CCCCCCCCCC=C
InChi :
InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
InChi Key :
InChIKey=DCTOHCCUXLBQMS-UHFFFAOYSA-N
PubChem ID :
13190
Rotatable bond count :
8
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
10.093359
Hydrogen bond donor count :
0
Electric dipole moment :
0.586
XLogP :
6.233
VDW volume :
196.175831
Molecular weight :
154.172151
HOMO-LUMO gap :
11.235000
Herb list :
Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار
Elecampane, Inula - Inula helenium - زنجبیل شامی، مصفا
Golden rod, Wound-weed - Solidago virgaurea - علف طلائی
Refrences & Litretures:
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'
774. Journal:'Asian Journal of Chemistry' Year:'2011' Volume:'23' Page:'1940' DOI:'' Title:'Analysis of the Essential Oil from the Flower of Polygonum bistorta L. subsp. carneum (Koch)'
976. Journal:'Journal of Essential Oil Research' Year:'2006' Volume:'18' Page:'46' DOI:'10.1080/10412905.2006.9699382' Title:'Volatile Oil-Bearing Flora of Siberia VIII: Essential Oil Composition and Antimicrobial Activity of Wild Solidago virgaurea L. from the Russian Altai'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us