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
   -3.9600    0.2521    0.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5422    0.1792    0.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9039   -0.7890   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6457   -1.6115   -1.1224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4494   -0.8550   -0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -0.0066   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7997   -0.0686   -0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3620   -0.9667   -0.8500 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489    0.8136    0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0506    0.7634    0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4754   -0.2433   -0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1999    1.3433    0.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2722   -0.1517    1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0190   -1.6333   -1.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0882    0.7652    0.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4223    0.2785    1.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4112    0.1452   -0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5095    1.7851    0.3904 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