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
   -4.6175   -0.2474   -0.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8488   -0.6385    0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4572   -0.4396    0.2359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8809    0.7923   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6528    1.7754   -0.1172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4444    0.9906   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3899   -0.0257   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8185    0.1916   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2290    1.3574   -0.3560 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7395   -0.8509   -0.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042   -0.5309   -0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5632    0.4621    0.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6616    0.0117   -0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7586   -1.0785   -1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2461    0.6306   -1.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2527   -0.1748    1.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9942   -1.7435    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0787    1.9878   -0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0300   -1.0233    0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2386   -0.0812   -1.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7151   -1.4643   -0.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6023    0.2298    1.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241    1.5028    0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9392    0.4496    1.7831 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