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
   -3.0339    2.0706    0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3528    1.3088   -1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2091    0.5894   -0.5779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3314   -0.3775    0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4788   -0.6015    0.8604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1686   -1.1368    0.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3676   -2.0311    1.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502   -2.8167    2.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1613   -0.8788    0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2108   -1.4536    0.7491 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3197    0.0985   -0.6065 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5818    0.3942   -1.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4169    1.4704   -2.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8723    1.4633    0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621    2.2670    0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4822    3.0318   -0.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717    2.0145   -1.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0925    0.6028   -1.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -2.2055    2.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4154   -3.5288    3.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5555   -2.1903    2.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237   -3.3854    1.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9878   -0.5129   -1.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3334    0.6577   -0.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9033    2.3631   -1.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8827    1.0408   -3.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4390    1.7460   -2.5553 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