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

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
   -3.9378    0.1406   -0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5336    0.2692   -0.2890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6668   -0.8150   -0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1836   -1.9386   -0.5937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2284   -0.6318   -0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2673    0.5637    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6952    0.7926    0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1717    1.9217    0.4107 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515   -0.2881    0.1085 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9669   -0.1176    0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3782   -0.4364    0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3394    1.1898   -0.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2259   -0.3527   -1.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4137   -1.4771   -0.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3891    1.4169    0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2337    0.7316   -0.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1524    0.1058    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304   -1.0746   -0.0464 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