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
    3.9054    1.0987    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030    1.0445    0.2777 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7473    0.0038   -0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2949   -0.9124   -0.8406 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3290   -0.0381    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.0274   -0.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8551   -1.0631   -0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5951   -1.9899   -0.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4362   -0.0452    0.5284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862    0.0803    0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1305    1.8121   -0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    1.4974    0.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2995    0.0852   -0.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1355    0.7596    0.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0381   -1.8297   -0.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1483    1.0364    0.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -0.7440    0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8601    0.2321    1.9473 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