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
    3.9527   -1.4597   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0163   -1.4902   -1.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7349   -0.9701   -0.9627 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799    0.3435   -0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6457    1.0155   -0.4233 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2877    0.9146   -0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093    2.1588    0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0751    2.8233    0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9230    0.1295   -0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8226   -1.0652   -0.7190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1868    0.5823   -0.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3221   -0.2176   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3003   -1.4497    0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4213   -0.4450   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8128   -2.1398   -0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.7533    0.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8601   -2.5185   -1.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4992   -0.8531   -2.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1149    2.7266    0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8999    3.8921    0.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167    2.8444   -0.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6109    2.3366    1.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5298   -0.5114   -1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2080    0.4137    0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500   -1.8225    0.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9376   -1.2558    1.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7304   -2.2291    0.1317 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