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
   -4.5858   -0.1867   -0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9398   -0.2415    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5401   -0.3509    0.4241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7617    0.5919   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3053    1.5983   -0.6981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3259    0.4537   -0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151   -0.5820    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554   -0.7011    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4157   -1.6628    0.5489 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4570    0.3001   -0.5571 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    0.2749   -0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167    0.2442    0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8546    0.1066   -1.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4435    0.5298   -0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9979   -1.1888   -1.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2252    0.6431    1.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2880   -1.1519    1.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406    1.2216   -0.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2645   -1.3436    0.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1269   -0.5536   -1.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1433    1.2125   -1.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6460   -0.1324    0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1936   -0.3807    1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7805    1.2993    0.9008 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