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: 35
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
6-Ethyl-2-methyloctane
ScientificNameLabel
6-Ethyl-2-methyloctane
PHCD compound ID :
5493
Chemical Names :
6-Ethyl-2-methyloctane
Molecular Formula :
C11H24
Molecular Weight :
156.187801
More Details :
Names & Synonyms:
6-ethyl-2-methyl-octane , 6-ethyl-2-methyloctane
Smiles:
CCC(CCCC(C)C)CC
InChi :
InChI=1S/C11H24/c1-5-11(6-2)9-7-8-10(3)4/h10-11H,5-9H2,1-4H3
InChi Key :
InChIKey=AZXGABNJUBNOHW-UHFFFAOYSA-N
PubChem ID :
537768
Rotatable bond count :
6
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
10.682348
Hydrogen bond donor count :
0
Electric dipole moment :
0.147
XLogP :
6.477
VDW volume :
198.81229
Molecular weight :
156.187801
HOMO-LUMO gap :
14.621000
Herb list :
Common dandelion - Taraxacum officinale - گل قاصدک
Refrences & Litretures:
922. Journal:'Acta Physiol Plant' Year:'2010' Volume:'32' Page:'231' DOI:'10.1007/s11738-009-0381-5' Title:'Essential oil composition of Taraxacum of?cinale'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us