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
   -4.2725   -0.0763    0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0080   -0.6978    0.2418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8689    0.0951    0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    1.3505    0.2522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5351   -0.4797    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5045    0.3287    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8824   -0.2117    0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966   -1.4411    0.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9486    0.6446    0.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042    0.2193    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3680    0.6763    1.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0088   -0.8945    0.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5338    0.3455   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4327   -1.5530    0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    1.3861    0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4338   -0.7654    0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    1.0245    0.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6339    0.0488   -0.9344 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