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
    4.4694    0.3854    1.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9249   -0.5924    0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5129   -0.3525   -0.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219   -0.4989    1.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795   -0.8341    2.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2704   -0.2705    1.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2906    0.0802   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7277    0.3078   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4623    0.1803    0.9067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3804    0.6838   -1.2843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7733    0.9000   -1.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5343   -0.3687   -0.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7546    1.2440    1.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5085   -0.1195    2.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4714    0.7712    0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0221   -1.6446    0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4245   -0.4450   -0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3153   -0.3892    1.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017    0.2007   -0.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0872    1.7658   -0.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0569    1.0775   -2.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8855   -0.2944    0.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7941   -1.1956   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3544   -0.5912   -1.5866 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