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
    3.6777    1.4683    0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006    0.1311    1.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4475   -0.5638    0.6558 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1815   -0.0646    0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735    1.0349    0.9473 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1585   -0.7562   -0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4916   -1.9129   -0.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4731   -2.6673   -1.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1596   -0.1536   -0.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0194   -0.7486   -1.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4978    1.0537    0.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604    1.6673   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8899    0.8402    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6842    1.5243    0.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9298    1.6665    0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6014    2.3079    1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0111    0.3272    2.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3132   -0.4756    1.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -2.3100   -0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3549   -2.9664   -1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7979   -2.1279   -2.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0181   -3.6370   -2.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553    2.6388    0.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8946    1.8409   -1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5263    0.0386    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4349    0.3662   -0.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6634    1.4780    0.9009 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