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
   -3.7906    0.7972    0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9791   -0.3582    0.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5802   -0.1870    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1839    0.9841    0.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7093   -1.3240    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5825   -1.3343   -0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5127   -0.2562   -0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2637    0.9643   -0.1988 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.5491   -0.3861 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460    0.4756   -0.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6361    1.4618   -0.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8461    0.5707    0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4552    1.3227    1.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1850   -2.3413    0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0276   -2.3569   -0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8775    0.8088   -1.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8264    0.0297   -0.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5416    1.2920    0.1669 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