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
    3.2665   -1.7343   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1282   -1.8022    0.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0122   -1.0330    0.5023 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0907    0.3456    0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2182    0.8443    0.5016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0269    1.1558   -0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0915    2.4375   -0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3760    3.1237   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3498    0.5575   -0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3434    1.2398   -0.6811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5658   -0.8001   -0.1677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -1.3384   -0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9101   -0.7776    0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7329   -2.7391   -0.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176   -1.4742   -1.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0820   -1.0532    0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7937   -2.8479    0.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5264   -1.4430    1.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7694    3.0070   -0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1869    2.7861   -0.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    4.2307   -0.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746    3.0575    0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1228   -1.2837   -1.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7529   -2.4474   -0.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8386   -0.6710   -0.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2097   -1.5365    1.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6840    0.1958    0.9238 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