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
   -4.7230   -0.2080    0.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8293    0.7945   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4652    0.4905   -0.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9105   -0.6614   -0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7097   -1.4614   -1.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5092   -0.9982   -0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.1987    0.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7689   -0.5291    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1885   -1.6210   -0.3292 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.2735    0.7818 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0478   -0.0899    0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7095   -0.2817   -0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1561   -0.9427    1.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3987   -0.7316   -0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3998    0.3171    1.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9794    1.8152    0.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1664    0.9100   -1.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1335   -1.9184   -0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    0.7362    0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2245   -1.0080    1.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878    0.7252    1.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1722    0.1502   -1.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552   -1.3822   -0.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7521    0.1468   -0.4660 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