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
   -3.9583    0.4109   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5256    0.3226   -0.0542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8754   -0.8301    0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121   -1.7696    0.7715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4185   -0.9435    0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    0.0268   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176   -0.0968   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3339   -1.1699    0.3565 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    0.9202   -0.4767 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0710    0.7344   -0.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3329    0.8202   -0.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4201   -0.5728    0.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2615    1.0873    0.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0156   -1.8692    0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0508    0.9539   -0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.2467   -0.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5813    1.5799   -0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    0.6425    0.6257 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