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
   -4.4515    0.2055   -0.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9639   -1.1528    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344   -1.1064   -0.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7756   -0.1746    0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4022    0.6195    1.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3380   -0.0725    0.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2908    0.8499    1.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324    1.0224    1.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2738    1.9203    1.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5472    0.2173    0.4383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9540    0.3649    0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5029   -0.6738   -0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5416    0.9031    0.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7252    0.6787   -1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4122    0.1333   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2628   -1.3081    1.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4060   -1.9334   -0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1953   -0.7539   -0.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2709    1.5335    1.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4052    0.1817    1.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2480    1.3976    0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8149   -1.5384   -0.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4693   -1.1015   -0.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6505   -0.2122   -1.5604 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