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
    3.5625   -1.3854    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6745   -1.4604   -0.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4342   -0.8352   -0.4446 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3956    0.5138   -0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4853    1.1239   -0.0461 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    1.2420    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1798    2.5257    0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0880    3.2898    0.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    0.5120   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2198    1.0663    0.1518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1314   -0.8387   -0.3301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3507   -1.5659   -0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1229   -1.5316    0.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2396   -0.6286    1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6393   -1.2961    0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4753   -2.3733    1.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747   -2.5273   -0.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586   -1.0030   -1.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1407    3.0523    0.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8395    4.3475    0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6111    2.8881    1.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7173    3.3101   -0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -1.1828   -1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0734   -2.6086   -0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7913   -0.6779    0.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6632   -2.4953    0.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3600   -1.4613    1.6717 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