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
    4.3210   -0.8577   -0.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5715   -0.2334   -1.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1889   -0.2628   -1.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7241    0.3893   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5679    1.0037    0.3987 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070    0.3657    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1136    0.9914    1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193    0.9579    1.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0117    1.5241    2.4998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3948    0.2634    0.6763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7756    0.1895    0.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4137   -0.6435   -0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627   -1.5455   -0.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0961   -1.5279   -1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7999   -0.1054    0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9290    0.8189   -1.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6973   -0.7910   -2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3556   -0.1862   -0.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6127    1.5174    1.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0067   -0.1851    1.9570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1786    1.2334    0.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4011   -0.2350   -0.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7906   -0.7257   -1.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5170   -1.6807    0.2655 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