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
    4.5372    0.3100   -0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8581   -0.7172    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482   -0.5568    0.2902 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8482    0.6274    0.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6201    1.5298    1.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.7658    0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3727   -0.2022    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8114   -0.0175    0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3356    1.0454    0.7606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6275   -1.0471   -0.0754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0352   -0.8925   -0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4433    0.2575   -0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9736    1.1359   -0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7404    0.7455   -1.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2867   -0.1436   -1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0491   -1.7253   -0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2593   -0.6383    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0049    1.7061    1.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0961   -1.1241   -0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4516   -1.8411   -0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4003   -0.8014    0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6447    0.4523   -1.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5760    1.1607   -0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4104   -0.0291   -1.4222 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