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
    4.2931    0.2241    0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0148   -0.3928    0.3732 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8662    0.2824   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119    1.4179   -0.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5430   -0.3166    0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.3029   -0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8470   -0.3292    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9792   -1.4697    0.5565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    0.3414   -0.3513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2774   -0.2064   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1924    1.1558   -0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7672    0.4047    1.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9591   -0.4605   -0.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4580   -1.2905    0.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5339    1.3026   -0.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2886   -1.3227   -0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9213    0.1922   -0.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6924    0.1646    0.7832 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