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
   -3.6658   -1.4335   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4196   -1.8107   -0.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3236   -0.9926   -0.5325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3666    0.3651   -0.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3979    0.8802   -1.2279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2227    1.1787   -0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    2.4839   -0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    3.3452   -0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9523    0.5297    0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9612    1.1869    0.4466 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0102   -0.8428    0.3663 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420   -1.4529    0.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -1.2839    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0682   -2.3017    0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4871   -0.6246    0.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4887   -1.0902   -0.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1322   -2.8505   -0.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6678   -1.6973   -1.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1187    2.9236   -1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921    4.3996   -0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282    3.3301    0.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8636    3.1186   -0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350   -2.5513    0.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2673   -1.1050    1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2260   -1.0613   -0.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975   -0.4561    0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0521   -2.1873    0.1376 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