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
   -3.2028    2.0368    0.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3351    1.1975   -0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5105    0.0474   -0.4477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1125    0.1330   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6499    1.2972   -0.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2729   -1.0560   -0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7659   -2.2681   -0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220   -3.5147   -0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669   -0.8867   -0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9386   -1.8759   -0.2283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7473    0.3925   -0.1586 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1353    0.4865   -0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482    1.8854    0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2738    1.8408    1.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3224    3.1126    0.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1026    1.8122    1.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013    1.8233   -1.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3783    0.8269   -0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655   -2.3412   -0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6562   -4.4107   -0.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6809   -3.5061   -1.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6413   -3.6643    0.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   -0.1713    0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5532    0.0435   -1.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856    2.3697   -0.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6879    1.8249    0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0092    2.5648    0.6275 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