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: 49
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
3,7-dimethyl-6-nonenal
ScientificNameLabel
3,7-dimethyl-6-nonenal
PHCD compound ID :
2940
Chemical Names :
3,7-dimethyl-6-nonenal
Molecular Formula :
C11H20O1
Molecular Weight :
168.151415
More Details :
Names & Synonyms:
(E)-3,7-dimethylnon-6-enal , (E)-3,7-dimethyl-6-nonenal
Smiles:
O=CC[C@@H](CC/C=C(/CC)\C)C
InChi :
InChI=1S/C11H20O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,9,11H,4-5,7-8H2,1-3H3/b10-6+/t11-/m1/s1
InChi Key :
InChIKey=JFFUZMNCDKUJSH-CDCCAWJDSA-N
PubChem ID :
5364568
Rotatable bond count :
6
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.233592
Hydrogen bond donor count :
0
Electric dipole moment :
2.599
XLogP :
4.055
VDW volume :
202.329599
Molecular weight :
168.151415
HOMO-LUMO gap :
10.001000
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