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
   -3.9612    0.3491    0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5662    0.3903    0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6189    0.1568    0.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9748   -0.1120    2.1278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2075    0.2228    0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2187    0.5043   -0.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6285    0.5643   -0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206    0.8335   -2.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6030    0.3326    0.0640 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9972    0.3949   -0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4077   -0.5964   -0.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2435    0.4391    1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4079    1.1717   -0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5175    0.0356    1.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5215    0.6912   -1.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3623   -0.6581   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4906    1.0097    0.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0709    0.8546   -1.2495 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