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
   -4.7130   -0.4405   -0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1730    0.8071    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8520    1.0931   -0.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8484    0.1969    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1892   -0.8579    0.6501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4641    0.4873   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4576   -0.3888    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8413   -0.1282   -0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1717    0.9197   -0.8706 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8354   -1.0393    0.0406 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1945   -0.8628   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7454    0.3946    0.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2686   -0.6189   -1.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5716   -1.3281    0.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8012   -0.3095   -0.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8002    1.6640   -0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3414    0.7559    1.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2350    1.4228   -0.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2056   -1.3008    0.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3790   -0.7731   -1.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7373   -1.7346    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166    1.2993   -0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8398    0.4128    0.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5335    0.3288    1.5112 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