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 >
9-Hexacosene
ScientificNameLabel
9-Hexacosene
PHCD compound ID :
1648
Chemical Names :
9-Hexacosene
Molecular Formula :
C26H52
Molecular Weight :
364.406902
More Details :
Names & Synonyms:
(E)-hexacos-9-ene , (E)-9-hexacosene
Smiles:
CCCCCCCCCCCCCCCC/C=C/CCCCCCCC
InChi :
InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-26H2,1-2H3/b19-17+
InChi Key :
InChIKey=HGTCGIXAQAYYBS-HTXNQAPBSA-N
PubChem ID :
5363630
Rotatable bond count :
22
Rule of five :
2
Hydrogen bond acceptor count :
0
Ionization potential :
9.541012
Hydrogen bond donor count :
0
Electric dipole moment :
0.222
XLogP :
14.618
VDW volume :
455.6156
Molecular weight :
364.406902
HOMO-LUMO gap :
10.822000
Herb list :
Egyptian willow - Salix aegyptiaca - بيدمشك
Red pepper - Capsicum annuum - فلفل قرمز
White mustard - Sinapis alba - خردل سفید
Refrences & Litretures:
183. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'543' DOI:'10.1080/0972060X.2011.10643971' Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
303. Journal:'Chemistry of Natural Compounds' Year:'2013' Volume:'49' Page:'557' DOI:'' Title:'CHEMICAL COMPOSITION OF MACERATED PLANT PARTS OF WHITE MUSTARD Sinapis alba'
542. Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech' Year:'2015' Volume:'320' Page:'95' DOI:'' Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us