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
    3.8087   -1.8721    0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7372   -0.9249   -0.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650   -0.0090   -0.5350 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3374   -0.4229   -0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517   -1.6603   -0.4946 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2256    0.5036   -0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3813    1.8140   -0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7220    2.7743   -0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1357   -0.0005   -0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3128   -1.2608   -0.3195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2491    0.7919   -0.1856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5220    0.1894   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6422   -0.7306    1.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6228   -1.5989    1.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8734   -1.9174    1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0201   -2.8878    0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6685   -0.3204   -0.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7199   -1.4532   -1.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4189    2.1703   -0.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3001    3.8168   -0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4001    2.7553   -1.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2929    2.7087    0.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7644   -0.4130   -1.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3339    0.9371   -0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4328   -1.7916    0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8757   -0.4839    1.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6469   -0.7141    1.5303 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