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
   -4.3094   -0.1445    0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9947   -0.5072    0.5682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8867    0.0600   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1249    0.9232   -0.9320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5237   -0.3064    0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5195    0.2416   -0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8928   -0.1051    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779   -0.9615    0.9206 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    0.4874   -0.5970 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3241    0.1353   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9163   -0.9919   -0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7857    0.2865    1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3508    0.6428   -0.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3673   -1.0517    1.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3402    0.9829   -1.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527    0.9658   -0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4637    0.1659    0.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6137   -0.8231   -0.7160 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