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
    4.0601    0.4816    0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6795    0.7688   -0.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538   -0.1923    0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1919   -1.3134    0.6855 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3161    0.0072    0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192   -0.9602    0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9618   -0.7814    0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7674   -1.6920    0.7671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4555    0.4329    0.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8472    0.7020   -0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6880    1.3240   -0.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3387   -0.4018   -0.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3627    0.2908    1.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0748    0.9546   -0.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1485   -1.9178    0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3390    0.1326   -0.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3001    0.3692    0.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9775    1.7950   -0.1521 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