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
    4.0860    1.8193   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2970    1.1817   -1.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0056    0.7833   -1.0955 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7876   -0.1337   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8198   -0.6047    0.4672 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663   -0.5490    0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3406   -1.4229    1.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9740   -1.8990    1.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7265   -0.0095   -0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5814    0.8269   -1.2021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0231   -0.3377    0.0610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1419    0.2484   -0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171   -0.2928   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276    2.8463   -0.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0021    1.2264   -0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4244    1.8198    0.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509    1.9585   -2.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8780    0.3663   -1.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2526   -1.8121    1.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5540   -2.4044    1.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5571   -1.0512    2.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7930   -2.6307    2.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0176    0.0185   -1.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0502    1.3391   -0.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2634    0.2796   -0.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3477   -0.2099    1.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4913   -1.3566   -0.3405 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