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
    4.5196   -1.5907   -0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9680   -0.3241   -0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5465   -0.3859   -0.1726 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7784    0.6464    0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454    1.6236    0.8456 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3196    0.5532    0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4435    1.5196    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8775    1.4188    0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6038    2.3468    0.9474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5168    0.3354   -0.0778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9175    0.3173   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3704   -0.9449   -0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657   -2.4349   -0.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2950   -1.5481   -1.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6139   -1.6763   -0.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3502    0.5956   -0.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2661   -0.3179    1.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1245   -0.3153   -0.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0015    2.3737    1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3900    0.4630    0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2105    1.2297   -0.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2475   -1.3870   -0.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5622   -1.6982   -0.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7028   -0.7997   -1.8803 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