Monomers

Diethyl maleate

Identifiers

IUPAC name
diethyl (Z)-but-2-enedioate
InchI
InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InchI Key
IEPRKVQEAMIZSS-WAYWQWQTSA-N
SMILES
CCOC(=O)/C=C\C(=O)OCC
Canonical SMILES
CCOC(=O)C=CC(=O)OCC
Isomeric SMILES
CCOC(=O)/C=C\C(=O)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H12O4
Heavy Atom Count
12
Molecular Weight
172.18
Exact Molecular Weight
172.0736
Valence Electrons
68
Radical Electrons
0
tPSA
52.6
MolLogP
0.6688
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

 24 23  0  0  0  0  0  0  0  0999 V2000
   -4.5910    1.1306    0.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8916   -0.2177    0.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5358    0.0067    0.4345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6459   -1.0581    0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0701   -2.2188    0.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2548   -0.8737    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2907    0.3055   -0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940    0.4844   -0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2188    1.5822   -0.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5028   -0.6561   -0.5985 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8846   -0.5767   -0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5630    0.2967    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6382    1.5104   -0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0515    1.8659    1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6141    0.9530    1.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3633   -0.8499   -0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0246   -0.7171    1.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4115   -1.7215   -0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3526    1.1689   -0.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2895   -1.6079   -0.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0424   -0.2209   -1.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4858    1.3567   -0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0325    0.0744    1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6178   -0.0172    0.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  6 18  1  0
  7 19  1  0
 11 20  1  0
 11 21  1  0
 12 22  1  0
 12 23  1  0
 12 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers