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
    4.2584   -0.0360    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9621   -0.3299    0.5283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8738    0.1062   -0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    0.7502   -1.2959 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211   -0.1728    0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204    0.2364   -0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8547   -0.0543    0.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0106   -0.6905    1.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9850    0.3512   -0.6614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2428    0.0176   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2021    0.9305   -0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5112   -0.8461   -0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0184   -0.0430    0.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.7168    1.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4252    0.7863   -1.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1808   -0.9202    0.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9196   -0.2116   -0.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6445    0.8428    0.5363 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