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
    3.0046   -2.1584    0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1523   -1.9255   -0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1664   -0.9415   -0.3902 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4584    0.3651   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6697    0.6730    0.0881 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4199    1.3718    0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483    2.6063    0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2256    3.6743    0.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9963    1.0524    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175    1.8848    0.2228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4156   -0.2411   -0.3094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8150   -0.5315   -0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0172   -1.9619   -0.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900   -1.3728    0.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5258   -3.1337    0.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4114   -2.1985    1.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6221   -2.8801   -0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -1.7142   -1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087    2.8372    0.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8545    3.3887    1.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8463    3.9175   -0.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3131    4.5900    1.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2998    0.1175   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044   -0.3243    0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280   -2.4192   -0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1254   -2.0719   -1.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1529   -2.6040   -0.5467 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