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 >
Cyclohexane,1,2-dimethyl
ScientificNameLabel
Cyclohexane,1,2-dimethyl
PHCD compound ID :
2888
Chemical Names :
Cyclohexane,1,2-dimethyl
Molecular Formula :
C8H16
Molecular Weight :
112.125201
More Details :
Names & Synonyms:
1,2-dimethylcyclohexane
Smiles:
C[C@H]1CCCC[C@@H]1C
InChi :
InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChi Key :
InChIKey=KVZJLSYJROEPSQ-YUMQZZPRSA-N
PubChem ID :
11416
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
10.560948
Hydrogen bond donor count :
0
Electric dipole moment :
0.091
XLogP :
4.43
VDW volume :
134.567877
Molecular weight :
112.125201
HOMO-LUMO gap :
14.439000
Herb list :
Rhubarb - Rheum ribes - ریواس، ریوند
Refrences & Litretures:
366. Journal:'Journal of Essential Oil Bearing Plants' Year:'2015' Volume:'18' Page:'1108' DOI:'10.1080/0972060X.2014.884763' Title:'Screening of the Essential Oil, Hexane Extract, Chemical Composition, Antioxidant Activity, andAntimicrobial Acitivity of the Flower Rheum ribes L. from Iran'
367. Journal:'J Pharm Health Sci' Year:'2014' Volume:'2' Page:'115' DOI:'' Title:'Screening of Flowers Essential Oil and Hexane Extract of Rheum ribes L. from Iran- Chemical Composition, Antioxidant and Antimicrobial Activities'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us