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
    4.2881    0.4535   -0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9359    0.6679    0.2415 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8764   -0.0038   -0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109   -0.8904   -1.1693 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4839    0.2532    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5187   -0.3916   -0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8769   -0.0901   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0864    0.7973    0.7364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9817   -0.7409   -0.6504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2854   -0.3840   -0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8765    1.1563    0.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5604    0.6720   -1.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6504   -0.5547    0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2892    1.0266    0.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3354   -1.1518   -1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6484    0.5410   -0.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3237   -0.1942    0.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0149   -1.1663   -0.4350 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