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
   -4.3574   -0.3148   -1.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8599    0.8291   -0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628    0.8126   -0.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8015   -0.2422    0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4485   -1.2250    0.5838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3531   -0.2265    0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3206   -1.2104    0.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580   -1.1309    1.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436   -2.0630    1.5276 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -0.0347    0.5541 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9022    0.0075    0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3934    1.3205    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4540   -0.1836   -1.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304   -0.2825   -2.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2012   -1.3020   -0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250    1.7690   -1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4196    0.8177    0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2395    0.6374   -0.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1868   -2.0837    1.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3970   -0.8491    0.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1240   -0.0207    1.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8617    2.1543    0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4846    1.4472    0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    1.3738   -0.9726 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