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
    4.4719    0.5909   -0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2731   -0.2770    0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9451   -0.0809    1.0198 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225   -0.3954    0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1674   -0.8360   -0.9998 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5536   -0.2064    0.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4262   -0.5026   -0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8266   -0.3361    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1801    0.1008    1.2474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8403   -0.6550   -0.7682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2106   -0.5241   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5976    0.9076   -0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5296    1.0636   -1.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1398    1.4225   -0.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9021    0.0229   -1.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0001   -0.0643    1.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3265   -1.3601    0.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481    0.1840    1.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902   -0.8786   -1.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5608   -1.2216    0.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7632   -0.8173   -1.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2859    1.2178    0.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6680    1.0992   -0.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0306    1.5461   -0.8987 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