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
    3.9519    0.7775    0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5633    0.9662    0.4713 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7476   -0.1236    0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2998   -1.2617    0.2444 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3130   -0.0221    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390   -1.0793   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8687   -0.9546   -0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6191   -1.9296   -0.5380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4613    0.3073   -0.3258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8554    0.4625   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2186    0.6538    1.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5330    1.6699    0.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3479   -0.0782    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1349    0.9520    0.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0327   -2.0529   -0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4160   -0.4677   -0.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9695    0.9222   -1.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2438    1.2582    0.1802 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