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
   -4.4897    0.5681    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9770   -0.5838    0.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864   -0.5028    1.1365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -0.4996    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2155   -0.5677   -1.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3008   -0.4183    0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4922   -0.4165   -0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265   -0.3350   -0.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -0.3334   -1.6006 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4581   -0.2589    0.6888 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8601   -0.1811    0.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3508    1.0427    0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7407    0.1721   -0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3330    1.0707    0.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6766    1.3395   -0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2653   -1.5714    0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4592   -0.5678    1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.3591    1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1164   -0.4744   -1.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839   -1.1295    0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1127   -0.1299    1.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5592    0.8896   -0.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2449    1.4118    0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5646    1.8348    0.2331 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