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
    4.4368    1.1127   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1601    0.0722   -1.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7803    0.0822   -1.4195 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8823   -0.1850   -0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241   -0.4332    0.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4377   -0.1992   -0.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3877   -0.4632    0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8334   -0.4818    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066   -0.2350   -0.9807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7297   -0.7488    1.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1467   -0.7600    0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5218    0.6251    0.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9874    0.6810    0.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0629    1.9145   -0.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4684    1.5429    0.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7864    0.2283   -2.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3694   -0.9170   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0730    0.0140   -1.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -0.6738    1.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.0388    1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3583   -1.5354    0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6423    0.5761   -0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4476    0.9280    0.9855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7472    1.3734    0.7293 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