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
    2.5222    2.1145   -0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995    2.0043    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6376    0.9241    0.2840 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0871   -0.4146    0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3321   -0.5192    0.3292 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1528   -1.5056    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5717   -2.7352   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049   -3.0698    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2772   -1.2539   -0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1099   -2.1854   -0.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7905    0.0348   -0.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1732    0.3018   -0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3853    1.7883   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    3.1703   -0.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085    1.7408   -1.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4183    1.5303   -0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8881    2.9293    0.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0245    2.0342    1.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1242   -3.5476   -0.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4855   -2.7179    1.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1786   -4.1720    0.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5351   -2.5651   -0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7422   -0.2622    0.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5066   -0.0787   -1.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9563    2.2392   -0.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4527    2.0600    0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7894    2.1554    0.8409 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