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
    3.8772    0.6474   -0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4565    0.4516   -0.1258 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329   -0.5755    0.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459   -1.2978    1.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897   -0.7768    0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438   -0.0065    0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7784   -0.1993    0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2278   -1.1566    0.8037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6720    0.6070   -0.6090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0606    0.3111   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2166    0.7689    0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0789    1.5465   -0.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925   -0.2588   -0.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1355   -1.5936    1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0491    0.7917   -0.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4225    0.0388   -1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6318    1.2264   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379   -0.5245    0.2250 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