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
    4.3481   -0.3345    1.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9686   -0.8002   -0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6138   -0.5166   -0.3638 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6101   -1.0400    0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9301   -1.7950    1.3680 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2428   -0.7029    0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0590    0.0925   -0.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460    0.4367   -1.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7662    1.1966   -2.1061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4491   -0.0874   -0.3672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7883    0.2507   -0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6843   -0.4461    0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601    0.4881    1.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3869    0.0703    1.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2106   -1.1919    1.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5696   -0.2127   -0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1249   -1.8902   -0.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5424   -1.1062    0.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6931    0.5299   -1.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9468    1.3537   -0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9958   -0.1314   -1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0122   -1.4042   -0.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1012   -0.6209    1.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5673    0.2091    0.5115 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