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
   -4.2859   -0.1400   -0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9614   -0.3606   -0.6431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8971    0.0193    0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1179    0.5544    1.2653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.1855   -0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4962    0.1806    0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8754   -0.0206    0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0842   -0.5571   -1.0429 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9593    0.3478    0.8447 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3062    0.1425    0.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9528   -0.5108   -1.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4879    0.9307   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5238   -0.6866    0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281   -0.6461   -1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242    0.6415    1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9716    0.4486    1.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5107   -0.9172    0.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5413    0.7590   -0.4793 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