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
    4.4721    0.0321    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5954    0.6168    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2825    0.1532    0.3478 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1852    0.4500   -0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218    1.2030   -1.4309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1459   -0.0291   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3981   -0.7917    0.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6972   -1.1914    1.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2489    0.3503   -1.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0637    1.0932   -2.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5301   -0.0889   -0.7954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6459    0.2231   -1.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8699   -0.4489   -1.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4272    0.5477    1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6461   -1.0575    0.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.0388    2.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9503    0.3325   -0.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6619    1.7303    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4307   -1.1310    1.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879   -0.3392    2.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2495   -1.8211    2.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4973   -1.7846    1.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5299   -0.1527   -2.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7633    1.3272   -1.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5775   -1.1168   -0.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3826   -1.1036   -1.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5850    0.2960   -0.5759 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