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
    4.5590   -0.5888    0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6400    0.2132    1.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3279    0.1828    0.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0631    0.6805   -0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9757    1.1709   -1.1258 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7158    0.6422   -0.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.1258   -0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6181    0.0860   -0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8660    0.5408   -1.8788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6675   -0.4432   -0.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9562   -0.4428   -0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8910   -1.0786    0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565   -1.1676    1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037   -1.2742   -0.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1235    0.1262   -0.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9560    1.2751    1.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   -0.2176    2.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5155    1.0352   -1.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0434   -0.2682    0.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0060   -1.0844   -1.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2770    0.5665   -0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9264   -0.3709    1.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4088   -2.0253    0.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8594   -1.2120   -0.0612 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