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
    3.8744    0.6812    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770    0.4547    0.0179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9411   -0.5495   -0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7603   -1.2434   -1.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4982   -0.7832   -0.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3679   -0.0568   -0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7865   -0.3101   -0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2261   -1.2301   -1.0129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6590    0.4778    0.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0473    0.2938    0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0714    1.6601   -0.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4238   -0.0741   -0.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2330    0.7494    1.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1749   -1.5978   -1.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0092    0.7308    0.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4392    0.2514   -0.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3772   -0.6485    0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5419    1.1945    0.8669 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