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
    2.9498   -2.0546    0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7585   -0.5753    0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836   -0.2681    0.1030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9730    1.0483   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8359    1.9358    0.1274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4102    1.4084   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757    2.6736   -0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1471    3.8110   -0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3970    0.3338   -0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828    0.6350   -0.6954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0343   -0.9748   -0.3474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9262   -2.0677   -0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0420   -2.0526    0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117   -2.5786   -0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0280   -2.2852    0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6574   -2.4621    1.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1140   -0.1034    1.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380   -0.1980   -0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8279    2.8629   -0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4369    4.7698   -0.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9283    3.7283   -1.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6077    3.8035    0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001   -2.1574   -1.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3116   -2.9850   -0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1641   -3.0580    1.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0101   -1.8617   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9141   -1.3282    1.3205 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