Structure Database (LMSD)
Common Name
Methyl (E)-2-dodecenoate
Systematic Name
methyl (2E)-dodec-2-enoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Methyl (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)
YWSDDOFJTUOVMX-VAWYXSNFSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h11-12H,3-10H2,1-2H3/b12-11+
SMILES (Click to copy)
COC(=O)/C=C/CCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
245.76
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.86
Molar Refractivity
63.77
Admin
Created at
-
Updated at
6th Jun 2022