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
    3.9557   -2.3891   -0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9367   -2.2419   -1.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -1.5337   -1.0075 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9495   -1.9056    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1988   -2.9573    0.6457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2327   -1.0955    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5008    0.0073   -0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6571    0.8162    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4136    0.4669    0.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9508    1.9812   -0.6708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0595    2.7785   -0.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0065    3.2886    1.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9388   -2.0103   -0.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349   -3.4771   -0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152   -1.8240    0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3761   -1.7129   -2.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6408   -3.2444   -1.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8910   -1.3974    1.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1593    0.3074   -1.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0471    3.6323   -1.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0276    2.2649   -0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3528    2.4697    1.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6905    4.1741    1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9619    3.6023    1.2638 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