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
   -4.4305    0.8983   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2622   -0.4298    0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9295   -0.4890    0.9060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9097   -0.4112   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1770   -0.2925   -1.2213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415   -0.4674    0.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4324   -0.3923   -0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8419   -0.4448   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2088   -0.5619    1.1165 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018   -0.3605   -1.0454 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1811   -0.3922   -0.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5830    0.7644    0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5133    0.7278   -1.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6139    1.5999   -0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3695    1.3600    0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9150   -0.5060    1.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3930   -1.2772   -0.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.5725    1.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1863   -0.2899   -1.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4689   -1.3747   -0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6557   -0.3031   -1.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    0.4864    0.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826    1.1440    0.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184    1.5842   -0.6633 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