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: 46
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Cyclohexadecane
ScientificNameLabel
Cyclohexadecane
PHCD compound ID :
3879
Chemical Names :
Cyclohexadecane
Molecular Formula :
C16H32
Molecular Weight :
224.250401
More Details :
Names & Synonyms:
cyclohexadecane
Smiles:
C1CCCCCCCCCCCCCCC1
InChi :
InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2
InChi Key :
InChIKey=JJWIOXUMXIOXQN-UHFFFAOYSA-N
PubChem ID :
67526
Rotatable bond count :
0
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
10.661957
Hydrogen bond donor count :
0
Electric dipole moment :
0.049
XLogP :
9.104
VDW volume :
272.935754
Molecular weight :
224.250401
HOMO-LUMO gap :
14.681000
Herb list :
St John's wort - Hypericum perforatum - گل راعی، هوفاریقون ، گل شهناز
Refrences & Litretures:
522. Journal:'Maced. J. Chem. Chem. Eng' Year:'2015' Volume:'34' Page:'333' DOI:'' Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us