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
    3.7975    0.5609    0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152   -0.5074    0.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5257   -0.2712    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200    0.9226    0.2437 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6341   -1.3777   -0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6455   -1.3245   -0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5070   -0.1983   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1749    0.9845    0.1665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9232   -0.3539   -0.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8023    0.7396    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6209    0.1816    0.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2344    0.8733   -0.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730    1.3696    0.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1624   -2.3588   -0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1407   -2.3181   -0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0978    0.8969    1.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7390    0.5000   -0.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3525    1.6810   -0.3847 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