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
   -4.5957   -0.5106    0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7670    0.0472    1.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4042   -0.0863    0.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8324    0.4905   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5410    1.1874   -0.8694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4212    0.3010   -0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248   -0.4341    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -0.6262    0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4571   -1.3274    0.8883 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648   -0.0667   -0.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139   -0.2289   -1.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6561    0.2662   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4409   -1.1080    0.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9625    0.3311   -0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9622   -1.1760   -0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9612   -0.5745    2.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9953    1.1100    1.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013    0.7735   -1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063   -0.8953    1.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9905   -1.2807   -1.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9087    0.3410   -2.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0006   -0.5678    0.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5764    0.6235   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675    1.1126    0.3714 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