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
   -4.5557    1.0887   -0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8753    0.5727    0.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5235    0.3188    0.5572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5899   -0.1600    1.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332   -0.3969    2.6173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185   -0.3990    1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2037   -0.1658   -0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5812   -0.4074   -0.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176   -0.1683   -1.7806 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047   -0.8841    0.2828 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596   -1.1445   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5763    0.1068   -0.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9838    0.7567   -1.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5849    0.6314   -0.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6754    2.1889   -0.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3506   -0.4039    1.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9870    1.2687    1.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4812   -0.7760    1.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5216    0.2185   -0.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9506   -1.9310   -0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3348   -1.5424    0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1507   -0.1083   -1.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3463    0.3987    0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8926    0.9375   -0.6910 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