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
   -4.4287    1.1161    0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0010   -0.1825   -0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340   -0.4642    0.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6571    0.3982   -0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0686    1.4218   -1.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2275    0.1303   -0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726   -0.9524    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5635   -1.2465    0.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9791   -2.2666    1.2077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5148   -0.3637    0.1088 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8940   -0.5996    0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6504    0.5442   -0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3182    1.9792   -0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8727    1.2618    1.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4975    1.0153    0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5624   -1.0026    0.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1954   -0.2115   -1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707    0.8463   -0.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5626   -1.6424    0.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1128   -1.5507   -0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1871   -0.7488    1.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7029    0.5818   -0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6039    0.4160   -1.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1738    1.5206   -0.1464 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