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
   -3.9553    0.2157   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5577    0.1817    0.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6528    0.1158   -0.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1092    0.0830   -2.1606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2259    0.0854   -0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    0.1224    0.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320    0.0939    0.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981    0.1297    2.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955    0.0283   -0.1337 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933    0.0011    0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2468   -0.3966   -0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3185    1.2727   -0.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3882   -0.1632    0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5212    0.0341   -1.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239    0.1745    1.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3667   -1.0313    0.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5197    0.6176   -0.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621    0.4757    1.1983 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