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
    4.2114    1.1085    1.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4041    2.0884    0.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1232    1.4726    0.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165    2.0875   -0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717    3.2136   -0.8484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720    1.4532   -0.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344    0.2699   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241   -0.3828   -0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6616    0.1626   -0.8737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0026   -1.6229    0.3259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2530   -2.2593    0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5224   -2.4743   -1.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8961    1.2278    2.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2873    1.3208    1.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    0.0624    1.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8894    2.3236   -0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2129    2.9791    1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511    1.9419   -1.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314   -0.2297    0.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0950   -1.6770    0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2077   -3.2182    0.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1978   -3.3766   -1.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6059   -2.7272   -1.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0233   -1.6112   -1.7839 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