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: 47
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
cyclooctane
ScientificNameLabel
cyclooctane
PHCD compound ID :
4384
Chemical Names :
cyclooctane
Molecular Formula :
C8H16
Molecular Weight :
112.125201
More Details :
Names & Synonyms:
cyclooctane
Smiles:
C1CCCCCCC1
InChi :
InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2
InChi Key :
InChIKey=WJTCGQSWYFHTAC-UHFFFAOYSA-N
PubChem ID :
9266
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
10.411213
Hydrogen bond donor count :
0
Electric dipole moment :
0.015
XLogP :
4.552
VDW volume :
134.567877
Molecular weight :
112.125201
HOMO-LUMO gap :
14.680000
Herb list :
Cow-parsnip - Heracleum persicum - گلپر
Refrences & Litretures:
651. Journal:'Bioscience Research' Year:'2005' Volume:'2' Page:'107' DOI:'' Title:'Cytotoxicity and chemical constituents of the volatile oil of golpar (heracleum persicum desf. Ex Fischer)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us