Structure Database (LMSD)
Common Name
Ethyl tiglate
Systematic Name
ethyl (2E)-2-methylbut-2-enoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Ethyl tiglate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
OAPHLAAOJMTMLY-GQCTYLIASA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+
SMILES (Click to copy)
O=C(/C(/C)=C/C)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
141.96
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.80
Molar Refractivity
36.55
Admin
Created at
-
Updated at
6th Jun 2022