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
   -3.4209    0.6783    0.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110   -0.3959    0.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2066   -0.3625    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752    0.7499    0.4903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4123   -1.5019   -0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8503   -1.6810   -0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8781   -0.7594   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1026   -1.1428   -0.1949 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6633    0.5168    0.3948 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742    1.3407    0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5654    1.4346   -0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4336    0.2511    0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467    1.2160    1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0620   -2.3774   -0.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799   -2.6859   -0.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8571    1.4400    1.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672    0.9469    0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5609    2.3323    0.1796 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