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
    5.2220    0.1245    0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7518    0.3060    0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9788   -0.3031   -0.2885 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5751   -0.1909   -0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1673    0.4369    0.8146 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6978   -0.7740   -1.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5940   -0.7261   -1.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083   -0.1151   -0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2349    0.5203    0.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9169   -0.2167   -0.4125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8305    0.3730    0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2249    0.0902   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3736   -0.0338   -0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591   -0.7195    1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7653    1.0354    0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4744   -0.1116    1.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5393    1.4063    0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2008   -1.3216   -1.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1005   -1.2478   -1.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6488    1.4688    0.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6939   -0.0866    1.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2161   -0.8219   -0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9640   -0.0391    0.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4727    0.9465   -0.7138 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