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
   -3.9778    0.8122   -0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5801    0.9793   -0.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7802   -0.0336    0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3325   -1.0626    0.5543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3324    0.0277    0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3932   -0.9582    0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8446   -0.8974    0.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5119   -1.8334    1.0497 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.2325    0.0792 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9025    0.3501    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3287    1.1177    0.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4811    1.3806   -1.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1843   -0.2763   -0.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.8896   -0.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0843   -1.8497    0.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2607    0.8176   -0.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1686    0.9700    0.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3395   -0.6663    0.1414 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