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
    4.3430    0.6635    0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7506   -0.7180    0.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885   -0.6016    0.5891 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0260   -0.0711   -0.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9009    0.3087   -1.4092 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373    0.0462   -0.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2955   -0.3579   -0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6975   -0.2367   -0.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0295    0.2463   -1.5903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887   -0.6543    0.3769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0267   -0.5156   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4446    0.8871   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1628    0.7111    0.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6847    0.8835    1.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082    1.4545    0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895   -1.1978    1.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2349   -1.3780    0.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480    0.4664   -1.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261   -0.7804    0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2074   -1.1917   -0.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6641   -0.9197    0.8091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5644    0.9257   -0.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0473    1.5396    0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1825    1.2428   -1.3239 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