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
   -4.6058   -0.0961   -0.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9674    0.2878    0.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6302   -0.0874    0.8546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7128    0.4101   -0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435    1.1905   -0.9420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073    0.0399    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    0.5391   -0.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375    0.1688   -0.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366    0.6393   -1.6451 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3799   -0.6790    0.1661 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221   -1.0957    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6547    0.0886    0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3608    0.5930   -1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7094   -0.0394   -0.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3688   -1.1272   -0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5282   -0.3027    1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1665    1.3406    0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260   -0.6308    0.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1901    1.2214   -1.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532   -1.8120    1.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019   -1.6676   -0.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3634   -0.1807    1.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0107    0.9411    0.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1865    0.2583   -0.4100 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