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
   -2.8274   -1.7722    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4321   -0.4640    0.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6359    0.6425    0.9184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168    0.7762    0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9421   -0.1660   -0.2871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5037    1.9154    0.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7085    2.2137    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6430    1.4923   -0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7950    1.9914   -0.6053 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826    0.3138   -0.9973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2195   -0.4525   -1.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849   -0.9004   -1.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0171   -1.5919    1.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6321   -2.3556    1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4746   -2.3704    0.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4242   -0.3020    1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6233   -0.5558   -0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0054    2.6722    1.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0642    3.1980    0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782    0.1909   -2.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752   -1.3438   -2.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841   -0.2579   -0.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422   -1.9257   -0.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3573   -0.9479   -1.8631 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