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
    4.6608   -0.3756    0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8881    0.7851    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    0.5800    1.0349 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7175    0.2681   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142    0.1811   -1.1597 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2846    0.0482    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3970   -0.2458   -1.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8499   -0.4782   -1.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077   -0.7571   -2.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4836   -0.3794    0.2175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8721   -0.5784    0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6059    0.4332   -0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0446   -1.2319    0.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4070   -0.7856    1.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2307   -0.0394   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1411    1.7322    0.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2825    0.9816    1.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2330    0.1173    0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1059   -0.3234   -2.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1001   -0.4393    1.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1216   -1.6250    0.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2281    1.0777    0.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2879   -0.0615   -1.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9096    1.1159   -1.0000 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