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
    4.0792    0.5623    0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6696    0.7181    0.3674 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866   -0.2401   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2166   -1.3150   -0.5723 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3488   -0.0379   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4926   -0.9574   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -0.7607   -0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260   -1.6405   -0.7804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996    0.3928    0.1567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9015    0.5967    0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5218    1.4623    0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635    0.5424   -0.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4240   -0.3429    0.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747    0.8684    0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1418   -1.9034   -0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3576    0.1560   -0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3217    0.1966    1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0639    1.7023    0.1613 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