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: 11
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
exo-Isocamphanone
ScientificNameLabel
exo-Isocamphanone
PHCD compound ID :
370
Chemical Names :
exo-Isocamphanone
Molecular Formula :
C10H16O1
Molecular Weight :
152.120115
More Details :
Names & Synonyms:
5,5,6-trimethylnorbornan-2-one , 2,2,3-trimethyl-5-bicyclo[2.2.1]heptanone , 2,2,3-trimethylbicyclo[2.2.1]heptan-5-one
Smiles:
O=C1C[C@@H]2C[C@H]1[C@@H](C2(C)C)C
InChi :
InChI=1S/C10H16O/c1-6-8-4-7(5-9(8)11)10(6,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8-/m0/s1
InChi Key :
InChIKey=TZAXGXBLCOILBQ-FXQIFTODSA-N
PubChem ID :
376006
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.805223
Hydrogen bond donor count :
0
Electric dipole moment :
3.370
XLogP :
2.434
VDW volume :
162.957156
Molecular weight :
152.120115
HOMO-LUMO gap :
10.845000
Herb list :
Eucalyptus, River red gum - Eucalyptus camaldulensis - اكاليپتوس
Refrences & Litretures:
22. Journal:'Z Lebensm Unters Forsch A' Year:'1999' Volume:'208' Page:'212' DOI:'' Title:'Effect of extraction techniques on the chemical composition and antioxidant activity of Eucalyptus camaldulensis var. brevirostris leaf oils'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us