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
    3.9617   -0.2696    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5720   -0.0300    0.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6330   -0.9468    0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586   -2.0490    1.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -0.6289    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2192    0.5181    0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6325    0.8465    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0431    1.9533   -0.3345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6050   -0.0458    0.5364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9899    0.3237    0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3214   -0.8420    0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -0.7095   -0.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4556    0.7442    0.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4853   -1.3848    0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4893    1.2506   -0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4700    0.0082   -0.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0873    1.4403    0.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4715   -0.1786    1.3420 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