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 >
1,2,3,5-Tetramethyl cyclohexane
ScientificNameLabel
1,2,3,5-Tetramethyl cyclohexane
PHCD compound ID :
1360
Chemical Names :
1,2,3,5-Tetramethyl cyclohexane
Molecular Formula :
C10H20
Molecular Weight :
140.156501
More Details :
Names & Synonyms:
1,2,3,5-tetramethylcyclohexane
Smiles:
C[C@@H]1C[C@H](C)[C@H]([C@@H](C1)C)C
InChi :
InChI=1S/C10H20/c1-7-5-8(2)10(4)9(3)6-7/h7-10H,5-6H2,1-4H3/t7-,8+,9-,10-
InChi Key :
InChIKey=HLPYGMSCWOQRJN-CHIWXEEVSA-N
PubChem ID :
94276
Rotatable bond count :
0
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
10.472515
Hydrogen bond donor count :
0
Electric dipole moment :
0.144
XLogP :
5.446
VDW volume :
169.159846
Molecular weight :
140.156501
HOMO-LUMO gap :
14.266000
Herb list :
Rice - Oryza sativa - برنج
Refrences & Litretures:
145. Journal:'Journal of Essential Oil Bearing Plants' Year:'2012' Volume:'15' Page:'645' DOI:'10.1080/0972060X.2012.10644099' Title:'The Frist Research on The Essential Oil of Iranian Rice (Oryza sativa L.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us