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
    3.2395   -1.7979    1.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472   -0.4280    0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7790   -0.1323    0.3614 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3748    1.0944   -0.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126    1.8903   -0.4702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0233    1.4085   -0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3668    2.5522   -0.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7604    2.9964   -1.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0409    0.4422   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2464    0.7179   -0.2744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7406   -0.8013    0.4786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8158   -1.6693    0.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6332   -2.0248   -0.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2860   -2.0962    1.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0750   -1.7884    1.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5134   -2.5554    0.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358    0.3408    1.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6970   -0.4530   -0.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4680    3.2497   -1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    3.9891   -1.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3889    3.0149   -0.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1863    2.2925   -1.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5272   -1.1481    1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4673   -2.6214    1.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -2.0303   -0.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4545   -1.3718   -1.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4025   -3.0707   -0.7932 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