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
    4.2847   -0.3934   -0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9441   -0.8475   -0.0608 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.0407   -0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027    1.2588   -0.3484 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.3876   -0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5071    0.4634   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897   -0.0197   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1152   -1.2466   -0.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9765    0.8146   -0.3089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3195    0.3703   -0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -0.8439   -0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461   -0.7634    0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3452    0.6979   -0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160   -1.4528    0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641    1.5032   -0.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6382    0.1275    0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4820   -0.5431   -0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9551    1.2216   -0.5746 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