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
   -4.3398    1.1149   -1.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9989    0.1675   -0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5766    0.0186   -0.2016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0429   -0.8131    0.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8354   -1.4303    1.5138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6121   -1.0065    0.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606   -0.3807    0.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6743   -0.6032    0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0471   -1.3808    1.3203 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6566    0.0188   -0.3466 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0283   -0.1818   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    0.6567   -1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1771    0.6278   -2.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4244    1.3790   -1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7239    2.0341   -1.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4320    0.5047    0.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4533   -0.8217   -0.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2484   -1.6684    1.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1071    0.2923   -0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198   -1.2529   -0.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2577    0.1520    0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585    0.1729   -1.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1366    0.7637   -2.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0513    1.6363   -0.6950 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