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
   -3.9674    0.1721   -0.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5413    0.2202   -0.6574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8294   -0.3095    0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4735   -0.8391    1.3396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3680   -0.2644    0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3603    0.2806   -0.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8141    0.3163   -0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884    0.8486   -1.3606 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362   -0.2053    0.6243 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9599   -0.1536    0.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3779    0.9490   -0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3395   -0.8535   -0.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2469    0.3611   -1.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1592   -0.6855    1.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1682    0.7027   -1.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3576    0.8388    0.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4046   -0.9368    0.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.4417    1.7146 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