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
   -4.2889   -0.0560    0.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9850    0.4602    0.3195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8391   -0.3193    0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0055   -1.5643    0.3803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5373    0.2972    0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5786   -0.4068    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8818    0.2315    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9156    1.4844   -0.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0679   -0.4837   -0.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3255    0.1557   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3194   -1.0921    0.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8245   -0.0869   -0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9282    0.6001    1.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516    1.3697    0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -1.4974    0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2910    1.0530    0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0954   -0.5769    0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5444    0.4315   -1.2043 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