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: 44
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
1-Methylethylideneyl-cyclohexane
ScientificNameLabel
1-Methylethylideneyl-cyclohexane
PHCD compound ID :
3096
Chemical Names :
1-Methylethylideneyl-cyclohexane , Cyclohexane,1-methylethylideneyl
Molecular Formula :
C9H16
Molecular Weight :
124.125201
More Details :
Names & Synonyms:
isopropylidenecyclohexane , propan-2-ylidenecyclohexane
Smiles:
CC(=C1CCCCC1)C
InChi :
InChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h3-7H2,1-2H3
InChi Key :
InChIKey=CUYJYVAWBJXBIC-UHFFFAOYSA-N
PubChem ID :
138578
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
8.813321
Hydrogen bond donor count :
0
Electric dipole moment :
0.049
XLogP :
3.591
VDW volume :
149.227403
Molecular weight :
124.125201
HOMO-LUMO gap :
10.312000
Herb list :
Cumin - Cuminum cyminum - زیره سبز
Refrences & Litretures:
407. Journal:'Journal of Chromatography A' Year:'2006' Volume:'1102' Page:'11' DOI:'10.1016/j.chroma.2005.10.032' Title:'Improved solvent-free microwave extraction of essential oil from dried Cuminum cyminum L. and Zanthoxylum bungeanum Maxim'
410. Journal:'Food Chemistry' Year:'2009' Volume:'115' Page:'1114' DOI:'10.1016/j.foodchem.2008.12.091' Title:'Extraction of Cuminum cyminum essential oil by combination technology of organic solvent with low boiling point and steam distillation'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us