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: 41
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Methylcyclopentane
ScientificNameLabel
Methylcyclopentane
PHCD compound ID :
1455
Chemical Names :
Methyl cyclopentane , Methyl-cyclopentane , Methylcyclopentane
Molecular Formula :
C6H12
Molecular Weight :
84.0939
More Details :
Names & Synonyms:
methylcyclopentane
Smiles:
CC1CCCC1
InChi :
InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
InChi Key :
InChIKey=GDOPTJXRTPNYNR-UHFFFAOYSA-N
PubChem ID :
7296
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
11.007737
Hydrogen bond donor count :
0
Electric dipole moment :
0.110
XLogP :
3.353
VDW volume :
99.975908
Molecular weight :
84.0939
HOMO-LUMO gap :
14.794000
Herb list :
Mugwort, Mugwood - Artemisia vulgaris - برنجاسف، درمنه معمولی
Pockspray - Cotoneaster nummularioides - شیرخشت، سیاه چوب
Wormwood - Artemisia sieberi - درمنه
Refrences & Litretures:
155. Journal:'EJEAFChe' Year:'2012' Volume:'11' Page:'493' DOI:'' Title:'CHEMICAL COMPOSITION OF ESSENTIAL OIL OF ARTEMISIA VULGARIS FROM WEST AZERBAIJAN, IRAN'
328. Journal:'Journal of Agricultural Science and Technology A' Year:'2012' Volume:'2' Page:'392' DOI:'' Title:'Comparison of Essential Oils in Aerial Parts of Artemisia Sieberi from Kashan Province of Iran'
510. Journal:'Int. J. Biosci' Year:'2015' Volume:'6' Page:'357' DOI:'10.12692/ijb/6.2.357-365' Title:'Antibacterial effects and chemical composition of essential oils from Cotoneaster nummularioides pojark and Sonchus arvensis L. leaves extracts on typical food-borne pathogens'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us