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
   -4.5387   -0.9643   -0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4131    0.4145   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2348    0.5029    0.7123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0185    0.3196    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391    0.0787   -1.1646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7457    0.3865    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    0.2029    0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6800    0.2631    0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7526    0.4979    2.0267 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8404    0.0637    0.0695 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1303    0.1106    0.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -0.1450   -0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3375   -0.9270   -1.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7338   -1.6035   -0.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5121   -1.4406   -0.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3129    0.6154    0.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3802    1.1766   -0.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410    0.5896    1.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403    0.0014   -0.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1773   -0.6616    1.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.1136    1.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6983   -0.1983   -1.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6996   -1.1105   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8726    0.7135   -0.4217 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