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
    5.2164   -0.5329    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837   -0.6816   -0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9163    0.0404    0.4937 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5133    0.0164    0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1704   -0.6724   -0.6987 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6584    0.7590    1.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6094    0.8967    1.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5775    0.3342    0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2338   -0.4082   -0.6688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9722    0.6031    0.4539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8123   -0.0197   -0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2582    0.2845   -0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4559    0.4187    0.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5570   -1.3592    0.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8704   -0.5746   -0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6689   -0.2742   -1.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5487   -1.7750   -0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1952    1.3196    1.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0399    1.5399    1.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6740   -1.1184   -0.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4810    0.2228   -1.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5441    1.3109   -0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5119    0.0757    0.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8405   -0.4057   -0.9528 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