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
   -4.4555    0.4471   -0.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9604   -0.4627    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5924   -0.7276    0.1867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6927    0.3198    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1712    1.4739    0.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2513    0.1376    0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2824   -1.0563    0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7314   -1.2620    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2570   -2.3748   -0.1203 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461   -0.1512    0.1102 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9530   -0.2067    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4658    1.2094    0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6679    0.8686   -1.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0525    1.2686   -0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1671   -0.0766   -1.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2827   -0.0831    1.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4966   -1.4462    0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4037    0.9910    0.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3363   -1.9430   -0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2597   -0.6689   -0.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3742   -0.8838    0.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    1.9059   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3212    1.2924   -0.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8283    1.4284    1.2291 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