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
   -3.8824    0.5019    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8624    1.1913    0.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5435    0.8074    0.6066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647   -0.4891    0.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8743   -1.3597    1.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3294   -0.7915    0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8438   -1.9895    0.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0110   -3.1158    0.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    0.3110    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7690    1.4831   -0.1011 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5407    0.1074   -0.2949 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193    1.1471   -0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9658    1.8125   -1.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5692    0.3855   -1.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8092    1.1394    0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1704   -0.4747    0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0851    1.0281    1.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9094    2.3048    0.6912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -2.1578    0.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5486   -4.0735    1.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706   -3.2846    0.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4408   -2.9729    1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    0.6390   -0.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5376    1.8595    0.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4474    1.3554   -2.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3263    2.8606   -1.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8782    1.7750   -2.1392 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