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
    3.5093    1.5704   -0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8386    0.1316   -0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9305   -0.4350    0.7127 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5420   -0.5017    0.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269   -0.0175   -0.6443 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6608   -1.0757    1.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6110   -1.2023    1.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4815   -0.8073    0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1512   -0.2582   -0.8009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8846   -1.0444    0.3741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -0.6547   -0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6860    0.8163   -0.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9888    1.9762    0.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    1.6929   -1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4759    2.1061   -0.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8474   -0.0150    0.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8438   -0.4714   -1.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1972   -1.4436    2.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0938   -1.6947    2.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7705   -0.9259   -0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4290   -1.2701   -1.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6632    1.3169   -0.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5504    0.9419   -2.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8731    1.2652   -0.3760 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