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
    3.8091   -0.7476    1.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5602   -1.1164    1.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6771   -0.1613    0.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0946    1.0409    0.9156 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -0.5126    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3963    0.3922   -0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6902    0.0935   -0.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0604   -1.1023   -0.8994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390    1.0500   -1.3402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7876    0.7919   -1.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8663    0.3527    1.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8458   -1.0471    3.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6305   -1.2193    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1212   -1.5401    0.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0891    1.4253   -0.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0648    1.7095   -2.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6028    0.6396   -1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7830   -0.0489   -2.6298 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