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
   -4.7087   -0.3251   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2058    0.9563    0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8591    1.2165    0.0075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.3021    0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2105   -0.7521    0.8955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4774    0.5115   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4273   -0.4130    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7951   -0.1630   -0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1771    0.8613   -0.8549 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606   -1.1115    0.0489 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0944   -0.9489   -0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7630    0.2534    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6567   -1.1508    0.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7093   -0.1781   -0.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0029   -0.5697   -1.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8034    1.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8485    1.7837    0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2427    1.4181   -0.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530   -1.2994    0.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6508   -1.8496    0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1784   -0.9108   -1.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5168    0.3496    1.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8734    0.0532    0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5511    1.1631   -0.3172 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