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: 17
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Nonylcyclohexane
ScientificNameLabel
Nonylcyclohexane
PHCD compound ID :
241
Chemical Names :
Nonylcyclohexane
Molecular Formula :
C15H30
Molecular Weight :
210.234751
More Details :
Names & Synonyms:
nonylcyclohexane
Smiles:
CCCCCCCCCC1CCCCC1
InChi :
InChI=1S/C15H30/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h15H,2-14H2,1H3
InChi Key :
InChIKey=CLMFECCMAVQYQA-UHFFFAOYSA-N
PubChem ID :
17900
Rotatable bond count :
8
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
10.518993
Hydrogen bond donor count :
0
Electric dipole moment :
0.084
XLogP :
8.474
VDW volume :
255.639769
Molecular weight :
210.234751
HOMO-LUMO gap :
14.324000
Herb list :
Ispaghula, Spogel seed plantain - Plantago ovata - اسفرزه، بارهنگ تخم مرغی
Refrences & Litretures:
14. Journal:'Phytochem. Anal. 2014, 25, 273' Year:'2014' Volume:'25' Page:'273' DOI:'10.1002/pca.2503' Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us