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
   -4.7838   -0.4510   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3134    0.9654   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0474    1.1310    0.5243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9546    0.5201   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1487   -0.1665   -1.0967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6176    0.6603    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4103    0.0716   -0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7683    0.1902    0.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524    0.8837    1.4454 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8382   -0.4322   -0.2051 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1434   -0.2657    0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1785   -1.0044   -0.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7264   -0.8618   -1.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8386   -0.5778    0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1612   -1.0634    0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3550    1.4945   -1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0370    1.5169    0.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4701    1.2542    1.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2635   -0.5297   -1.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3677    0.8231    0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1709   -0.5792    1.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9732   -1.3401    0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6072   -0.3386   -1.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7800   -1.9006   -0.9538 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