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
   -3.9819    0.2041   -0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5939    0.2285   -0.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6890   -0.5926   -0.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1903   -1.3676   -1.6184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2599   -0.5498   -0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2824    0.2557    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6893    0.3274    0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0984    1.1348    1.5364 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6459   -0.4600    0.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0086   -0.3159    0.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2568    0.8852   -1.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4734    0.6150    0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3791   -0.8215   -0.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873   -1.2052   -1.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3927    0.9066    0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0414    0.0583    1.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5719   -1.2668    0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917    0.4636   -0.2730 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