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
   -3.5527   -1.2623    1.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5238   -0.5815   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3682    0.1825   -0.2361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834   -0.3633   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0296   -1.6031   -0.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1101    0.4256   -0.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0677    1.7173   -0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2403    2.4182   -0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3973   -0.2404   -0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5022   -1.4836   -0.1913 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017    0.4346   -0.6120 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8608   -0.1700   -0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2143   -0.8292    0.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0316   -0.6684    2.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1322   -2.2989    1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6076   -1.3892    1.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6712   -1.3582   -0.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3859    0.1465   -0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9786    2.2928   -0.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8936    2.0583   -1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0795    3.5039   -0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7771    2.3878    0.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6090    0.6621   -0.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0343   -0.8650   -1.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8787   -1.6905    0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7878   -0.1631    1.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3344   -1.2628    1.2393 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