Structure Database (LMSD)
Common Name
2-Decene-4,6-diynoic acid, methyl ester, (E)-
Systematic Name
methyl (E)-dec-2-en-4,6-diynoate
Synonyms
- LACHNOPHYLLUM ESTER, CIS
- Lachnophyllum ester
- cis-Lachnophyllum ester
3D model of 2-Decene-4,6-diynoic acid, methyl ester, (E)-
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
String Representations
InChiKey (Click to copy)
LWONXTYZMYZRSU-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-4H2,1-2H3/b10-9+
SMILES (Click to copy)
O(C)C(/C=C/C#CC#CCCC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
200.60
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.52
Molar Refractivity
51.62
Admin
Created at
-
Updated at
6th Jun 2022