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
    4.5720    1.1298    0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9574   -0.2401    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5462   -0.1715    0.0019 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8130   -1.3422   -0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4467   -2.4182   -0.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3453   -1.3107   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187   -0.1737   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641   -0.1814   -0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3498   -1.2833   -0.4022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5466    0.9535   -0.2484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9373    0.9703   -0.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6114    0.1947    0.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6432    1.3854    1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9770    1.9066   -0.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5798    1.0799   -0.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2237   -0.8108    0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4134   -0.7807   -0.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1528   -2.2757   -0.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250    0.7521   -0.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2634    2.0359   -0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3421    0.5923   -1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2135    0.4521    1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6923    0.4428    0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5507   -0.9070    0.5882 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