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
    2.9616   -2.1531    0.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6958   -0.7006    0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3366   -0.3729    0.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9896    0.9683   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    1.8145   -0.1032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3881    1.4135   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969    2.6875   -0.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550    3.7237   -0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4916    0.4713    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7045    0.7710   -0.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801   -0.8624    0.1995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1235   -1.8870    0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0306   -2.0221   -0.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4205   -2.5930    1.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0695   -2.2660    0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6893   -2.7630   -0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2212   -0.3778   -0.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1662   -0.1365    1.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7315    3.0218   -0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1144    4.7418   -0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911    3.6064   -1.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9418    3.8068    0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5839   -2.8503    0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7986   -1.7544    1.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7612   -2.8282   -0.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6434   -1.1083   -1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5026   -2.3507   -1.7866 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