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
    3.8795    0.3455   -0.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4885    0.3299   -0.4763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7774   -0.6621    0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -1.5787    0.6990 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3252   -0.5470    0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3114    0.4464   -0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7526    0.5301   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3727    1.4804   -0.8422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4986   -0.4411    0.3454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9006   -0.3039    0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4022   -0.3871    0.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    1.3694   -0.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1257    0.2367   -1.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -1.3478    0.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2355    1.2106   -0.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4318   -1.2163    0.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2750   -0.0341   -0.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1392    0.5691    1.0009 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