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
    4.0466    0.4555    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    0.7618    0.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567   -0.2710    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1673   -1.4521    0.1232 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3273   -0.0492    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5381   -1.0473    0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9634   -0.7928    0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7603   -1.7569    0.2653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482    0.4949    0.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8225    0.8084    0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5221    1.2045   -0.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1818   -0.5194   -0.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4678    0.5464    1.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0144    0.9723    0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780   -2.0543    0.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4003   -0.1203    0.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0620    1.3900   -0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9618    1.4292    1.4250 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