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
    3.2046    1.4919   -0.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2301    1.8741    0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1353    0.9720    0.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4074   -0.3700    0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5830   -0.7716    0.4820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2940   -1.3353    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -2.6260    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5242   -3.6536    0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0514   -0.8300   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9918   -1.6578   -0.0417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3230    0.5168   -0.1922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6763    0.8926   -0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8380    2.3654   -0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6772    0.9317   -1.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    2.4086   -1.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0335    0.8751   -0.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7213    1.7445    1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9007    2.9188    0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5513   -2.9376    0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0963   -4.6632    0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2772   -3.5010    1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757   -3.7260   -0.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0954    0.3476   -1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2770    0.5403    0.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1275    2.8195    0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6546    2.5384   -1.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9267    2.8347   -1.0356 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