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: 58
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
10-pentyl heneicosane
ScientificNameLabel
10-pentyl heneicosane
PHCD compound ID :
520
Chemical Names :
10-pentyl heneicosane
Molecular Formula :
C26H54
Molecular Weight :
366.422552
More Details :
Names & Synonyms:
Smiles:
CCCCCCCCCCC[C@H](CCCCCCCCC)CCCCC
InChi :
InChI=1S/C26H54/c1-4-7-10-12-14-15-17-19-22-25-26(23-20-9-6-3)24-21-18-16-13-11-8-5-2/h26H,4-25H2,1-3H3/t26-/m0/s1
InChi Key :
InChIKey=RYGWDXWMHUIUFC-SANMLTNESA-N
PubChem ID :
Rotatable bond count :
22
Rule of five :
2
Hydrogen bond acceptor count :
0
Ionization potential :
10.543361
Hydrogen bond donor count :
0
Electric dipole moment :
0.065
XLogP :
15.073
VDW volume :
458.252059
Molecular weight :
366.422552
HOMO-LUMO gap :
14.445000
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