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
    3.3767    0.9330    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -0.2781   -0.1711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2267   -0.2946   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7427    0.8256    0.2717 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037   -1.5272   -0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7543   -1.7839   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8180   -0.8840    0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0032   -1.3848    0.2197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6587    0.4498    0.4581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8012    1.2243    0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2923    0.7422    0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7466    1.1905   -1.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348    1.7197    0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1801   -2.3951   -0.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0415   -2.8491   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0285    1.9186   -0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6986    0.5857    0.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6397    1.8076    1.6918 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