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
    4.5799    0.2192   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8086   -0.1686   -1.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4493   -0.3898   -1.1828 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352    0.5939   -0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908    1.7509   -0.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2217    0.3435   -0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2683   -0.8402   -0.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6771   -1.1096   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2051   -2.2324   -0.6884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -0.1321    0.0557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8634   -0.3863    0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5130    0.8736    0.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3681    0.9494   -0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9398    0.7087    0.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0278   -0.6665    0.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -1.1016   -1.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9304    0.5794   -2.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4289    1.1022   -0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577   -1.6186   -1.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9246   -1.2109    1.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3953   -0.7165   -0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2275    1.7025    0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5990    0.7501    0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0864    0.9998    1.8804 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