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
   -4.3211    1.2691   -0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0933   -0.2219   -0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7227   -0.4844   -0.7469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8047   -0.1680    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2556    0.3401    1.3057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678   -0.4123    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4314   -0.0803    1.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8701   -0.2933    0.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489    0.0127    1.8982 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3883   -0.8562   -0.2009 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8040   -1.0678   -0.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4556    0.2899   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3334    1.5158    0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2582    1.5940   -0.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4238    1.7866   -0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4529   -0.8103    0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7042   -0.5311   -1.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0137   -0.8475   -0.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    0.3551    1.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975   -1.5221   -1.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -1.7506    0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9276    0.4309    0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2900    0.3389   -0.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7339    1.1127   -0.3630 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