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
   -4.3828   -1.2257    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6102   -0.3502    1.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617   -0.0675    0.5838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1400    0.5841   -0.6139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1368    0.9594   -1.2733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7943    0.8278   -1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.4112   -0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5978    0.6489   -0.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8370    1.2354   -1.9122 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6296    0.2055   -0.0501 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    0.3698   -0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8075   -0.2484    0.7208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9100   -1.1998   -0.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4286   -2.2607    0.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4200   -0.8367    0.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4286   -0.9122    2.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1494    0.6070    1.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5926    1.3386   -2.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0492   -0.0984    0.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2056    1.4397   -0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1444   -0.1516   -1.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8756    0.0086    0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3189    0.0626    1.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6567   -1.3475    0.6622 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