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
   -3.5054   -0.6476   -1.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1983   -0.1845   -1.5693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6231   -0.5069   -0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3049   -1.1982    0.4483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2755   -0.0631    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2149   -0.3962    1.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447    0.0190    1.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0577   -0.2795    2.6663 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2983    0.7719    0.6969 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5944    1.2401    0.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3977   -1.4898   -2.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    0.1469   -2.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9961   -1.0357   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925    0.5297   -0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3539   -0.9941    1.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8278    2.0622    0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2888    0.3870    0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6485    1.6387    1.9859 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