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
   -3.8359    0.9238   -0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4596    0.6021   -0.2617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9634   -0.6660   -0.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7993   -1.5106   -0.9385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5562   -1.0040   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3706   -0.1425   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7675   -0.4679    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2364   -1.6028   -0.2097 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576    0.5045    0.4779 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0344    0.3214    0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2822    0.5512   -1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4192    0.6075    0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8684    2.0493   -0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387   -2.0004   -0.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0541    0.8613    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4870   -0.0704   -0.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274   -0.2967    1.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4877    1.3403    0.7580 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