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
   -2.9568   -2.8360    0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1893   -1.4373    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558   -0.7701    0.1022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855    0.5414   -0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7952    1.1443   -0.7801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4627    1.1834   -0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    2.4065   -0.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9352    3.1070   -0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    0.4371    0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5046   -0.7758    0.6539 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9477    0.9280    0.3579 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0051    0.1429    0.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2416   -1.1131    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8854   -3.3274    0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -3.4363   -0.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2281   -2.7148    1.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9560   -0.9477    0.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5484   -1.5948   -0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2075    2.9598   -1.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2947    3.1361    0.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526    2.5208   -1.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8676    4.1467   -1.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9421    0.7142    0.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7077   -0.1039    1.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5540   -1.1481   -0.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3118   -1.1697   -0.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1226   -1.9931    0.7396 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