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
   -4.2573   -1.0156    0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0866    0.4542    0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9773    0.9812    0.7315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6549    0.6457    0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   -0.1763   -0.5086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5530    1.2477    1.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7180    1.0895    1.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4120    0.2420    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665   -0.4976   -0.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8158    0.1789    0.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914   -0.6552   -0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9724   -0.5769   -0.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7291   -1.5721   -0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0582   -1.4441    1.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3534   -1.2313   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9942    0.9480    0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0379    0.7523   -0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8327    1.9848    1.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775    1.6718    1.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1732   -1.7263   -0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1859   -0.3185   -1.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899   -1.5202   -0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2586    0.2598   -0.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4385   -0.4146   -1.6789 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