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: 28
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
Methyl-4-methylene-bicyclo [3.2.1] oct-2-en
ScientificNameLabel
Methyl-4-methylene-bicyclo [3.2.1] oct-2-en
PHCD compound ID :
1830
Chemical Names :
Methyl-4-methylene-bicyclo [3.2.1] oct-2-en
Molecular Formula :
C10H14
Molecular Weight :
134.10955
More Details :
Names & Synonyms:
3-methyl-4-methylene-bicyclo[3.2.1]oct-2-ene , 3-methyl-4-methylenebicyclo[3.2.1]oct-2-ene , 3-methyl-4-methylidenebicyclo[3.2.1]oct-2-ene , 3-methyl-4-methylidene-bicyclo[3.2.1]oct-2-ene
Smiles:
CC1=C[C@@H]2CC[C@H](C1=C)C2
InChi :
InChI=1S/C10H14/c1-7-5-9-3-4-10(6-9)8(7)2/h5,9-10H,2-4,6H2,1H3/t9-,10-/m0/s1
InChi Key :
InChIKey=AUDQUDMLUZNYFA-UWVGGRQHSA-N
PubChem ID :
39540
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
8.928358
Hydrogen bond donor count :
0
Electric dipole moment :
0.369
XLogP :
3.951
VDW volume :
151.53047
Molecular weight :
134.10955
HOMO-LUMO gap :
9.300000
Herb list :
Lemongrass - Cymbopogon olivieri - پوتار، ناگرد، کاه مکی
Refrences & Litretures:
212. Journal:'Iranian Journal of Pharmaceutical Research' Year:'2006' Volume:'1' Page:'65' DOI:'' Title:'Antimicrobial Activity and Composition of the Essential Oil of Cymbopogon Olivieri (Boiss.) Bor from Iran'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us