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
    4.2568   -0.3435    0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0079   -0.2275   -0.6016 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8506   -0.1550    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640   -0.1960    1.3990 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5371   -0.0349   -0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5473    0.0320    0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8542    0.1515   -0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9572    0.1916   -1.5743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9866    0.2213    0.4488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2970    0.3400   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8806    0.5172   -0.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541   -0.2937    1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115   -1.2524   -0.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4566   -0.0009   -1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4644   -0.0018    1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8929    1.0172    0.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1947    0.7132   -1.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7249   -0.6782   -0.2206 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