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
   -4.3080   -0.0635   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0056    0.4887   -0.2421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8587   -0.2710   -0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034   -1.5047    0.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5167    0.3342   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588   -0.4032    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8688    0.2168    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898    1.4576   -0.1625 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0359   -0.5246    0.1792 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3254    0.0694    0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5706   -0.5586   -1.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4853   -0.7079    0.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0140    0.8108   -0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3913    1.3951   -0.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4496   -1.4631    0.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1795    1.1470   -0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9284   -0.4477   -0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8174    0.0249    1.1544 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