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
    4.5762    0.9441   -0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3055   -0.5415   -0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665   -0.8197   -0.5902 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082   -0.3295    0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1566    0.3484    1.1792 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5312   -0.5805   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4596   -0.1030    0.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8545   -0.3781    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739   -1.0619   -0.9298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9187    0.0945    0.8220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2675   -0.1190    0.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6670    0.4161   -0.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5377    1.1710   -0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7703    1.4394   -0.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6104    1.3421    0.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0101   -1.0754   -0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044   -0.9310    0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345   -1.1685   -1.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2280    0.4724    1.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5802   -1.1897    0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8644    0.4545    1.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7275    0.7244   -0.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9735    1.2349   -1.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5967   -0.3441   -1.6434 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