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: 44
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
3-ethyl-5(2`-ethyl butyl)octadecane
ScientificNameLabel
3-ethyl-5(2`-ethyl butyl)octadecane
PHCD compound ID :
523
Chemical Names :
3-ethyl-5(2`-ethyl butyl)octadecane
Molecular Formula :
C26H54
Molecular Weight :
366.422552
More Details :
Names & Synonyms:
3-ethyl-5-(2-ethylbutyl)octadecane
Smiles:
CCCCCCCCCCCCCC(CC(CC)CC)CC(CC)CC
InChi :
InChI=1S/C26H54/c1-6-11-12-13-14-15-16-17-18-19-20-21-26(22-24(7-2)8-3)23-25(9-4)10-5/h24-26H,6-23H2,1-5H3
InChi Key :
InChIKey=MFLJAIATZVGFPM-UHFFFAOYSA-N
PubChem ID :
292285
Rotatable bond count :
20
Rule of five :
2
Hydrogen bond acceptor count :
0
Ionization potential :
10.482219
Hydrogen bond donor count :
0
Electric dipole moment :
0.067
XLogP :
14.951
VDW volume :
458.252059
Molecular weight :
366.422552
HOMO-LUMO gap :
14.420000
Herb list :
Roman nettle, Burning nettle - Urtica pilulifera - انجره، گرنه توپی، گزنه رومی
Refrences & Litretures:
31. Journal:'Global Journal of Pharmacology' Year:'2013' Volume:'7' Page:'377' DOI:'10.5829/idosi.gjp.2013.7.4.1114' Title:'Steryl Glycosides, Lipoidal Matter and Volatile Constituents of Urtica pilulifera'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us