Structure Database (LMSD)
Common Name
Ethyl (E)-2-dodecenoate
Systematic Name
ethyl (2E)-dodec-2-enoate
Synonyms
3D model of Ethyl (E)-2-dodecenoate
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)
GZXNVYMVJSTRNI-OUKQBFOZSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h12-13H,3-11H2,1-2H3/b13-12+
SMILES (Click to copy)
C(/C=C/CCCCCCCCC)(=O)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
263.06
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.53
Molar Refractivity
68.87
Admin
Created at
-
Updated at
18th Nov 2024