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
    4.5674    0.1796    0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9352   -0.9310   -0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5624   -0.6045   -0.4801 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527   -0.4456    0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2632   -0.5973    1.7519 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600   -0.1157    0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653    0.0631   -0.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6768    0.3967   -0.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2559    0.5635   -1.8635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4691    0.5505    0.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8373    0.8724    0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6713   -0.1225   -0.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7783    0.9198    0.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0494   -0.2192    1.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3116    0.6804   -0.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4455   -1.0131   -1.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0333   -1.8756    0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2614    0.0045    1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3079   -0.0457   -1.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9297    1.9149   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1834    0.9080    1.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0629    0.3654   -1.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1672   -1.0767   -0.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5869   -0.3719    0.1808 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