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
    4.1757    2.3593   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8043    0.8957    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3789    0.7939    0.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7715   -0.4489    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5467   -1.4480    0.2993 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3188   -0.6054    0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1921   -1.8056    0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6383   -1.9538    0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1602   -3.0855    0.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4438   -0.8569    0.3882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8423   -0.8651    0.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3137    0.5717    0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3308    3.0115    0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0055    2.5819    0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5071    2.5584   -1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1781    0.4557    1.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1473    0.2967   -0.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2818    0.2680    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466   -2.6873    0.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2601   -1.2700    1.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2050   -1.4688   -0.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5793    1.1122   -0.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2601    0.5512   -0.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4346    1.0392    1.3213 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