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
   -3.0730    2.0909   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8208    0.6212   -0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392    0.3073   -0.0616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9835   -1.0041   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8512   -1.8371   -0.5910 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4130   -1.3625   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7839   -2.6126   -0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1327   -3.6768   -0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729   -0.3438    0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5684   -0.6745    0.6053 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0193    0.9782    0.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0158    1.8907    1.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1403    1.9935    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482    2.7158   -0.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1266    2.2784    0.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4392    2.4476    0.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4829   -0.0133    0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1009    0.4016   -1.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8302   -2.8821   -0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8972   -3.8105    0.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3795   -4.6681   -0.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5566   -3.4795   -1.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550    1.6208    2.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5136    2.8925    1.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8348    1.6358   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0020    1.4260    0.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4233    3.0645   -0.1216 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