Monomers

Dimethyl fumarate

Identifiers

IUPAC name
dimethyl (E)-but-2-enedioate
InchI
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InchI Key
LDCRTTXIJACKKU-ONEGZZNKSA-N
SMILES
COC(=O)/C=C/C(=O)OC
Canonical SMILES
COC(=O)C=CC(=O)OC
Isomeric SMILES
COC(=O)/C=C/C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H8O4
Heavy Atom Count
10
Molecular Weight
144.126
Exact Molecular Weight
144.0423
Valence Electrons
56
Radical Electrons
0
tPSA
52.6
MolLogP
-0.1114
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 18 17  0  0  0  0  0  0  0  0999 V2000
    4.1074    0.4203    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102    0.6364   -0.0466 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7740   -0.3587    0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2412   -1.4955    0.4718 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3468   -0.1068    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5572   -1.0324    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9803   -0.7511    0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8626   -1.6210    0.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4686    0.5289   -0.0421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8485    0.8078   -0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    1.3125    0.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5159    0.4471   -1.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3864   -0.4872    0.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0179    0.8946   -0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2450   -2.0322    0.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0785    1.5332    0.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4906   -0.0700   -0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1101    1.3742   -1.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  5 14  1  0
  6 15  1  0
 10 16  1  0
 10 17  1  0
 10 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers