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
   -4.4964    0.7124    0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0295   -0.3827   -0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7082   -0.7692   -0.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6154    0.0711   -0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    1.2775   -0.8159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2499   -0.3728   -0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0396   -1.6285    0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3580   -2.0568    0.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8353    0.5813   -0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5762    1.7931   -0.6957 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1707    0.3084   -0.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1837    1.3080   -0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446    0.7397   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0218    1.6817    0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5908    0.8556    0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3112    0.4929    1.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2183   -0.0156   -1.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6816   -1.2708   -0.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8720   -2.3314    0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9766   -1.9673   -0.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7698   -1.5168    1.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142   -3.1623    0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0097    2.1491    0.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1944    1.7249   -1.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5943   -0.3219   -0.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    1.2788   -0.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8272    0.8217    1.0256 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