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
   -4.7552   -0.0207   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0570   -0.4784   -1.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171   -0.0151   -1.3407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8385   -0.3812   -0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990   -1.1204    0.6339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4627    0.0916   -0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4162   -0.2291    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    0.2734    0.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0835    0.9909   -0.5187 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708   -0.0006    1.3632 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0845    0.4971    1.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7759    0.0594   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8011    0.2261   -0.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6936   -0.7603    0.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2774    0.9541    0.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0845   -1.5999   -1.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5777   -0.0667   -2.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1697    0.7221   -1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1051   -0.8521    1.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1359    1.5980    1.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    0.0708    2.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660    0.0143    0.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3580   -0.8504   -0.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6066    0.8772   -0.7716 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