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
    3.6444    1.1008    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9408   -0.1179    0.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5185   -0.0459   -0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0963    1.1249   -0.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7797   -1.2657   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4885   -1.4542   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084   -0.4430   -0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2520    0.7795   -0.1827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8748   -0.8542   -0.2377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8198    0.2042   -0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5601    1.6497   -0.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2954    1.7754    0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7231    0.8301    0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869   -2.2198   -0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8876   -2.5131   -0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4551    0.9993    0.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8266    0.5779   -1.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8324   -0.1283    0.0152 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