Structure Database (LMSD)
Common Name
Ethyl 2-methyl-4-pentenoate
Systematic Name
ethyl 2-methylpent-4-enoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Ethyl 2-methyl-4-pentenoate
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)
BDBGKYIBDXAVMX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3
SMILES (Click to copy)
C=CCC(C(=O)OCC)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
159.26
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.05
Molar Refractivity
41.10
Admin
Created at
-
Updated at
6th Jun 2022