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
   -4.6768   -0.3745    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8577    0.8607    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4727    0.5956    0.3085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7627    0.0695   -0.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3578   -0.2000   -1.8120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3487   -0.1662   -0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2784    0.1115    0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7121   -0.1072    0.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2098    0.1973    1.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5354   -0.6230   -0.2786 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -0.8514   -0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7016    0.3976    0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3827   -0.9176   -0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7298   -0.0496   -0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6999   -1.0441    0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1913    1.2972    1.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0355    1.5671   -0.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2014   -0.5781   -1.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980    0.5283    1.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1697   -1.6348    0.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752   -1.2144   -1.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1442    0.8437   -0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5604    0.1298    0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1135    1.1628    0.6868 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