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: 50
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
4,5-dimethyl-2,6-octadiene
ScientificNameLabel
4,5-dimethyl-2,6-octadiene
PHCD compound ID :
2942
Chemical Names :
4,5-dimethyl-2,6-octadiene
Molecular Formula :
C10H18
Molecular Weight :
138.140851
More Details :
Names & Synonyms:
4,5-dimethylocta-2,6-diene
Smiles:
C/C=C/[C@H]([C@H](/C=C/C)C)C
InChi :
InChI=1S/C10H18/c1-5-7-9(3)10(4)8-6-2/h5-10H,1-4H3/b7-5+,8-6+/t9-,10+
InChi Key :
InChIKey=JASAKDWEYSDIHI-NISHSBGLSA-N
PubChem ID :
519579
Rotatable bond count :
3
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
9.386894
Hydrogen bond donor count :
0
Electric dipole moment :
0.004
XLogP :
5.078
VDW volume :
176.243388
Molecular weight :
138.140851
HOMO-LUMO gap :
10.575000
Herb list :
Turmeric - Curcuma longa - زرچوبه، زردچوبه
Refrences & Litretures:
371. Journal:'Pharmaceutical Crops' Year:'2011' Volume:'2' Page:'28' DOI:'' Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us