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
    4.9561    0.2268   -1.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0544   -0.3736   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6742   -0.1032   -0.3254 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6611   -0.5651    0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0022   -1.2259    1.5107 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2589   -0.3238    0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6590   -0.7857    1.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0854   -0.5710    0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8825   -1.0538    1.7051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5956    0.1394   -0.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9604    0.3668   -0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5669    1.1272    0.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6818   -0.5110   -1.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4074    0.6474   -1.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5577    1.0651   -0.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2465   -1.4552    0.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2410    0.1389    0.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0378    0.2395   -0.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3357   -1.3534    1.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0568    1.0177   -1.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5398   -0.5563   -0.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8018    1.8861    1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6956    0.4161    1.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5239    1.6067    0.4420 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