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
    4.9415    0.4624    0.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4909    0.2695    0.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390    0.1693   -0.5122 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405   -0.0167   -0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8680   -0.0794    0.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5799   -0.1181   -1.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6916   -0.2873   -1.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6784   -0.4183   -0.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128   -0.3961    0.4672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0490   -0.6007   -1.1291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0424   -0.7327   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1275    0.4832    0.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1694   -0.3575   -0.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5873    0.3374    1.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0514    1.4363   -0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4511   -0.6587    1.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1975    1.1021    1.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1490   -0.0426   -2.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0654   -0.3372   -2.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8986   -1.6172    0.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9990   -0.9065   -0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5510    0.3295    1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1978    0.5795    1.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7519    1.3997    0.2547 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