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
   -4.2155   -0.5075   -0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0094   -0.5765    0.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8174   -0.2266   -0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972    0.1478   -1.6187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5394   -0.2805    0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5590    0.0575   -0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8255    0.0035    0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8865   -0.3745    1.5837 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0329    0.3488   -0.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2328    0.2696    0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3907    0.4860   -0.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0368   -0.7459    0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2727   -1.2436   -1.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5053   -0.6014    1.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5223    0.3762   -1.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0528    0.8402    0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4769   -0.8257    0.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0958    0.6871    1.5503 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