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
    4.0282    0.4737    0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324    0.6583    0.3857 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7576   -0.2364   -0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   -1.1894   -0.8649 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184   -0.0648   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5296   -0.9052   -0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9663   -0.7201   -0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8005   -1.5021   -1.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4300    0.3405    0.2431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7757    0.6465    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2756    0.6473   -0.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5165    1.2341    0.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3263   -0.5509    0.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0628    0.7675    0.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1410   -1.7504   -1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1449   -0.0355    1.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8384    1.7171    0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4309    0.4700   -0.4022 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