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
   -3.9693   -0.3247    0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5541   -0.4824    0.2438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7672    0.6378    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3226    1.7574   -0.0462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3138    0.5105    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3147   -0.6293    0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7604   -0.7048    0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3991   -1.7805    0.1523 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484    0.4464   -0.1319 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9452    0.3995   -0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3471   -1.0657    1.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2438    0.7081    0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4528   -0.5243   -0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771    1.4104   -0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497   -1.5308    0.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3471    1.1527    0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3687   -0.5858    0.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2596    0.6055   -1.2405 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