Monomers

Diethyl ethylidenemalonate

Identifiers

IUPAC name
diethyl 2-ethylidenepropanedioate
InchI
InChI=1S/C9H14O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h4H,5-6H2,1-3H3
InchI Key
LBBAWVLUOZVYCC-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=CC)C(=O)OCC
Canonical SMILES
CCOC(=O)C(=CC)C(=O)OCC
Isomeric SMILES
CCOC(=O)C(=CC)C(=O)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H14O4
Heavy Atom Count
13
Molecular Weight
186.207
Exact Molecular Weight
186.0892
Valence Electrons
74
Radical Electrons
0
tPSA
52.6
MolLogP
1.0589
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

 27 26  0  0  0  0  0  0  0  0999 V2000
    4.9425    0.4436    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    1.0658   -0.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5547    0.2026   -0.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660    0.6171   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0921    1.7302   -0.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005   -0.1998   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2671   -1.3756    0.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8569   -2.2653    0.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2292    0.2787   -0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4373    1.3865   -0.9281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3167   -0.4884   -0.0867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6502   -0.1984   -0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1646    1.0362    0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    0.7529   -0.7487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8670   -0.6572    0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2456    0.8754    0.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    1.2088   -1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4949    2.0167    0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855   -1.7090    0.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4593   -3.2016    1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265   -2.6349    0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4771   -1.7693    1.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8111   -0.1948   -1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2589   -1.0571    0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5528    1.7117   -0.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0345    0.8429    1.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4244    1.5823    0.9345 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
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 13 26  1  0
 13 27  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers