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
    4.5581   -1.3442   -0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9157   -0.2101    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5120   -0.1701    0.0282 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7429    0.8120    0.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3254    1.6668    1.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2772    0.8341    0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187   -0.0731   -0.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7594   -0.0205   -0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3834   -0.8592   -1.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5076    0.9731    0.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9029    1.0267   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5452   -0.2269    0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117   -2.2836   -0.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6548   -1.1754   -1.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5830   -1.4821   -0.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1003   -0.3519    1.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4096    0.7283   -0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3257    1.6001    0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551   -0.8519   -0.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1651    1.2325   -1.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3087    1.8750    0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9563   -0.8427   -0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7816   -0.8446    0.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3909   -0.0122    1.1601 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