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
   -2.5849    2.4187    0.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6217    0.9290    0.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3384    0.4876    0.2278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1797   -0.8504   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1756   -1.5978    0.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -1.3223   -0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2971   -2.5897   -0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8081   -3.5757   -0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -0.3985   -0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3993   -0.8135   -0.9301 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.9493   -0.2761 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2927    1.8186   -0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3777    1.3395    0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034    2.8185    1.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    2.9584    0.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    2.5786    1.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8666    0.3844    1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3095    0.6912   -0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3003   -2.9037   -1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2102   -3.6806    0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6168   -3.3364   -1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3971   -4.5754   -1.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0043    2.8615   -0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034    1.8071   -1.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0376    0.4025    1.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875    1.1076    0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5599    2.0916    1.3675 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