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
   -3.4305   -1.2820   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1526   -1.5775   -0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0601   -0.8531   -0.4599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9773    0.5064   -0.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9201    1.2098   -0.8248 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1918    1.1700    0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2785    2.4837    0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908    3.3870   -0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2818    0.3464    0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2919    0.9088    1.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253   -1.0353    0.5979 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3344   -1.7614    1.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5932   -1.4282    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1316   -0.8518    0.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9734   -2.2294   -0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9880   -0.5387   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9040   -2.6558   -0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2719   -1.4084   -2.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1735    2.9254    0.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9010    3.2293   -1.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7512    3.2602    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4386    4.4584   -0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1294   -2.8434    1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047   -1.5157    2.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3656   -0.5722   -0.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9283   -2.2558   -0.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3928   -1.0765    1.0292 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