Structure Database (LMSD)
Common Name
Ethyl trans-2-methyl-2-pentenoate
Systematic Name
ethyl (2E)-2-methylpent-2-enoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Ethyl trans-2-methyl-2-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)
HYQYCHQAUPHFKX-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h6H,4-5H2,1-3H3/b7-6+
SMILES (Click to copy)
O=C(/C(/C)=C/CC)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
159.26
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.19
Molar Refractivity
41.17
Admin
Created at
-
Updated at
6th Jun 2022