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
   -3.0856   -0.9896   -2.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7940   -1.4511   -0.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -1.0394   -0.2605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729    0.3031   -0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1513    1.1041   -0.5384 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    0.7852    0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523    2.0990    0.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7307    3.1207   -0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0194   -0.1830    0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7739   -1.4074    0.6383 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2549    0.2309    1.1731 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508   -0.6808    1.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -1.5591    0.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9280   -0.2412   -2.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4635   -1.8017   -2.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2563   -0.4590   -2.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6041   -1.1879   -0.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7826   -2.5685   -0.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2158    2.4124    0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997    3.0388   -1.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6701    3.0853    0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2696    4.1331    0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366   -1.3159    2.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1214   -0.0879    1.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618   -1.4913   -0.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879   -2.6097    0.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714   -1.2392   -0.0193 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