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
   -3.0753   -1.4091    0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132   -1.1774   -0.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0139   -0.5229   -0.4651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9394    0.7452    0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0342    1.2847    0.3577 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3237    1.3923    0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3624    2.5883    0.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9054    3.2860    1.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6039    0.7428    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6946    1.3082    0.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642   -0.5194   -0.4700 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9155   -1.1459   -0.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6612   -2.4858   -1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7770   -0.5537    0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4574   -1.5666    1.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7102   -2.3121    0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9572   -2.1642   -1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8248   -0.6436   -1.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3275    3.0616    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5984    4.2867    1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4536    2.7186    2.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5228    3.5082    0.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5146   -0.5524   -1.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5071   -1.2643    0.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7579   -2.4956   -2.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6844   -2.9268   -1.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4660   -3.1827   -0.9946 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