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
   -4.9206    1.2056    0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0717    0.0045    0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6854    0.3544    0.0666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175   -0.5859   -0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0738   -1.7881   -0.2548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2928   -0.2477   -0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878   -1.2013   -0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -0.8848   -0.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685   -1.7707   -0.8798 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4801    0.4248   -0.5810 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616    0.7197   -0.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7037    0.0238    0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5451    1.0914    1.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    2.1333    0.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6474    1.3893   -0.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3959   -0.5936   -0.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1170   -0.6642    1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0618    0.7679   -0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744   -2.2323   -0.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181    0.4798   -1.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9572    1.8231   -0.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0888   -0.7374    0.8329 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5626   -0.5051   -0.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    0.7934    1.0238 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