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
    4.4733   -0.6989    0.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9093   -0.2161   -0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5208   -0.0540   -0.3091 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8222    0.8055    0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.4633    1.3512 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3698    0.9373    0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3727    0.2565   -0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8227    0.4079   -0.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3660    1.2008    0.3938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5825   -0.3141   -1.2939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9997   -0.1274   -1.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5389   -0.4936    0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0381   -0.2245    1.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5627   -0.4279    1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4576   -1.8102    1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517    0.7319   -0.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1768   -0.9495   -1.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0947    1.6270    1.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448   -0.4253   -1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2044    0.9411   -1.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4693   -0.7190   -2.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8097   -1.1352    0.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5457   -0.9514    0.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6389    0.4412    0.6551 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