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
    3.6768    2.1007   -0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7028    0.8141   -0.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6989   -0.0871   -0.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3754    0.3089   -0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1197    1.4490   -0.9242 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960   -0.5542   -0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380   -1.7436    0.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5048   -2.6969    0.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0729   -0.0759   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3335    1.0911   -0.6288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1631   -0.8267    0.1935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5011   -0.4033    0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8099    0.8158    0.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7747    2.1918    0.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5873    2.1854    0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    2.9588   -0.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6805    0.2798   -0.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6396    1.0227   -1.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5763   -2.0715    0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2268   -2.9610    0.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0521   -2.2126    1.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0237   -3.5926    1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6860   -0.1683   -0.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1576   -1.2383    0.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0204    1.6979    0.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0280    1.0859    1.6463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7360    0.6302    1.5232 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