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
    4.0337   -0.8323   -0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1746    0.3381   -0.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863    0.0605   -0.3832 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8078    0.9994   -0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063    2.0813   -1.1564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6003    0.7886   -0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    1.7031   -0.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446    3.0163   -1.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0422   -0.4985    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2251   -1.4074    0.4083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3871   -0.7507    0.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8545   -1.9715    0.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2161   -2.1353    2.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7335   -1.7375   -0.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9189   -1.0922    0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0811   -0.5555   -0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    1.2744   -0.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2602    0.4649   -1.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5585    1.4970   -0.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6450    2.8396   -2.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917    3.5880   -1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4557    3.5972   -0.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9577   -1.9024    0.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6153   -2.8367    0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8849   -2.7901    2.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2265   -2.6089    2.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1049   -1.1294    2.6885 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