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
    4.6139    0.1898   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7142   -0.6909   -0.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3544   -0.5190   -0.5701 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715   -0.8093    0.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8549   -1.2096    1.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6102   -0.6736    1.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310   -0.2546    0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7120   -0.0946    0.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1029   -0.3454    1.9506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6448    0.3493   -0.1322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0165    0.5304    0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7105    1.0201   -1.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0034   -0.3622    0.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4462    0.6159   -0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9680    1.0039    0.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0405   -1.7453   -0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8455   -0.3571   -1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3697   -0.9144    2.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0412   -0.0249   -0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1331    1.2862    1.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4357   -0.4534    0.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6033    0.3930   -1.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583    0.9711   -1.9546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0032    2.0948   -0.9477 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