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: 29
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
cis-9-Tricosene
ScientificNameLabel
cis-9-Tricosene
PHCD compound ID :
2606
Chemical Names :
cis-9-Tricosene
Molecular Formula :
C23H46
Molecular Weight :
322.359951
More Details :
Names & Synonyms:
(Z)-tricos-9-ene , (Z)-9-tricosene
Smiles:
CCCCCCCCCCCCC/C=C\CCCCCCCC
InChi :
InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17-
InChi Key :
InChIKey=IGOWHGRNPLFNDJ-ZPHPHTNESA-N
PubChem ID :
5365075
Rotatable bond count :
19
Rule of five :
2
Hydrogen bond acceptor count :
0
Ionization potential :
9.565647
Hydrogen bond donor count :
0
Electric dipole moment :
0.408
XLogP :
12.911
VDW volume :
403.727646
Molecular weight :
322.359951
HOMO-LUMO gap :
10.828000
Herb list :
Damask rose, Persian rose - Rosa damascena - گل محمدی، گل گلاب
White mustard - Sinapis alba - خردل سفید
Refrences & Litretures:
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'
636. Journal:'Journal of Essential Oil Research' Year:'2013' Volume:'25' Page:'55' DOI:'10.1080/10412905.2012.751555' Title:'Comparison of microwave-assisted distillation and conventional hydrodistillation in the essential oil extraction of ?owers Rosa damascena Mill'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us