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
   -4.1690   -0.9520   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7912   -1.2444   -0.1503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8782   -0.2249    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2795    0.9329    0.2639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4603   -0.5076   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4127    0.4625    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8368    0.2332   -0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2315   -0.9327   -0.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7833    1.2316    0.1152 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1658    0.9557    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7607   -1.8413   -0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3491   -0.6820    1.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4165   -0.0883   -0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370   -1.5221   -0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0778    1.4557    0.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5445    1.0755   -1.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7384    1.6878    0.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4508   -0.0395    0.3464 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