Structure Database (LMSD)
Common Name
trans-Dehydromatricaria ester
Systematic Name
methyl (2E)-dec-2-en-4,6,8-triynoate
Synonyms
- trans-DME
3D model of trans-Dehydromatricaria ester
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Artemisia ordosica
(#1027791)
Magnoliopsida
(#3398)
Essential oil and polyacetylenes from Artemisia ordosica and their bioactivities against Tribolium castaneum Herbst (Coleoptera: Tenebrionidae),
Industrial Crops and Products, 2017
Industrial Crops and Products, 2017
String Representations
InChiKey (Click to copy)
LBAVIXQTLKRIGP-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9+
SMILES (Click to copy)
C(/C=C/C#CC#CC#CC)(=O)OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
195.32
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
0.75
Molar Refractivity
50.16
Admin
Created at
-
Updated at
6th Jun 2022