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
    4.5091    0.4239    0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8708   -0.9500    0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4754   -0.7521    0.5642 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8024   -0.0375   -0.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    0.4029   -1.3747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3599    0.2012   -0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2955   -0.2913    0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7531   -0.0348    0.7232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -0.4559    1.6594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992    0.6811   -0.2658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7653    0.9029   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6080   -0.3333   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8903    1.1775    0.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6987    0.6903   -0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4593    0.3358    1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0598   -1.4848   -0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2686   -1.5863    1.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1234    0.7630   -1.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958   -0.8465    1.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9630    1.5097    0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0831    1.5433   -1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7622   -0.7759    0.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2316   -1.0531   -0.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6308   -0.0302   -0.5488 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