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
    5.2316    0.6825   -0.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -0.0577    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8920    0.2652   -0.3757 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772   -0.3029    0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9777   -1.0973    1.1882 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4236   -0.0387   -0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6037   -0.6017    0.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9797   -0.3559   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2512    0.4302   -0.9744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0618   -0.9450    0.6130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4025   -0.7112    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7915    0.7392    0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7281    1.4153   -1.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7887   -0.0173   -1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8983    1.2558   -0.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2961    0.1789    1.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -1.1570   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2798    0.6427   -1.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163   -1.2720    1.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6229   -1.0790   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0540   -1.2832    0.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0845    1.2933    1.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8185    0.8392    0.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7158    1.1767   -0.6922 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