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
   -3.4429   -1.4948   -0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1909   -0.5044    0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1499    0.3987    0.3219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8726   -0.0302    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6228   -1.2563    0.1175 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1893    0.8905   -0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0318    2.1691   -0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3592    2.7665   -0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692    0.4217   -0.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009    1.2277   -0.7123 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8982   -0.9191   -0.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1666   -1.4476   -0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2189   -0.9718    0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5049   -1.8236   -0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8417   -2.4312   -0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3160   -1.0929   -1.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1321    0.0453    0.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9236   -1.0780    1.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7913    2.8350   -0.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994    3.8749   -0.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6737    2.5364    1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1382    2.4399   -0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0935   -2.5545   -0.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282   -1.2729   -1.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1664   -1.4951    0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9599   -1.3315    1.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4172    0.0982    0.2511 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