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
   -3.9034    1.8755   -0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8254    0.4403   -0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6635   -0.2135   -0.2238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3801    0.2039   -0.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2709    1.2027   -1.2789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2137   -0.5214   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3861   -1.5923    0.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7362   -2.3770    1.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0971   -0.0490   -0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2297    0.9510   -1.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123   -0.7107    0.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372   -0.3324   -0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8574    1.0671    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8814    2.2707   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9282    1.9299    0.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1270    2.5036   -0.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8854    0.3711   -1.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6999   -0.1013   -0.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3943   -1.8948    0.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2766   -2.8134    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4047   -1.7897    1.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3318   -3.2265    1.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7831   -0.3985   -1.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038   -1.0286    0.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9594    1.1951    0.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5182    1.1983    1.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    1.8399   -0.4596 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