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
    4.3575   -0.6119   -0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172    0.2254   -0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9361   -0.4972   -0.4032 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7112    0.1245   -0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7350    1.3447    0.1500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5597   -0.5195   -0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5988   -1.7707   -0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6083   -2.5963   -1.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7897    0.2084   -0.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9113   -0.3280   -0.4056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7791    1.5338    0.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9574    2.2829    0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8342    1.6760    1.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594   -0.9228   -1.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2515    0.0064   -0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2863   -1.5117    0.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2065    1.1056   -0.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1413    0.6588    0.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5616   -2.2465   -0.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951   -2.6922   -0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3367   -3.6278   -1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139   -2.1522   -1.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428    3.2949    0.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5592    2.4175   -0.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8320    1.3755    1.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3825    0.7969    1.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0476    2.4254    2.2739 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