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
   -2.2769   -2.2004   -1.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3603   -0.7834   -0.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1148   -0.2955   -0.1940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0181    1.0294    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0946    1.6796    0.2765 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2477    1.5713    0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3221    2.8040    1.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8687    3.6900    1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    0.7307    0.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5160    1.2139    1.0789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3673   -0.5932    0.2219 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5817   -1.3129    0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333   -2.7082   -0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2329   -2.4636   -1.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9536   -2.3547   -1.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6138   -2.8681   -0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -0.6923    0.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7265   -0.1368   -1.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855    3.2298    1.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2332    3.8280    0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5710    4.6937    1.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6453    3.2676    1.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3585   -0.7279   -0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9070   -1.3571    1.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9615   -3.3401    0.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -2.7844   -1.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732   -3.1195   -0.4141 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