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
    4.5063    0.7508    0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8850   -0.4613    0.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.4585    0.7535 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7454   -0.3739   -0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230   -0.3017   -1.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3026   -0.3678   -0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4335   -0.4418    0.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8809   -0.4343    0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5954   -0.5027    1.6032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -0.3458   -0.6398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9025   -0.3302   -0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4161    0.8860   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4727    0.9379    0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8773    1.6442    0.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7509    0.6165   -0.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282   -0.5460    1.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2274   -1.3961    0.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883   -0.2990   -1.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0508   -0.5104    1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3193   -1.2690   -0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1290   -0.2623   -1.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5949    1.6414    0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7537    0.4960    0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2472    1.3280   -0.5938 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