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
   -4.4545   -0.4134    0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0099    0.7022   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6308    0.9474    0.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561   -0.0479   -0.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083   -1.1554   -0.6932 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281    0.2030   -0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5098   -0.7430   -0.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9408   -0.5169   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7507   -1.4082   -0.9642 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    0.7083   -0.2424 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8359    0.8898   -0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4121   -0.1293    0.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9585   -0.0160    1.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6013   -1.0500    1.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2284   -1.0028    0.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5197    1.6369    0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3416    0.5380   -1.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236    1.1703    0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445   -1.7156   -0.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600    0.7019   -1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1109    1.9118    0.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1666   -0.7692    0.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229   -0.8223    1.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    0.3806    1.6070 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