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
    3.5805   -1.5211    0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444   -1.5711   -0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4968   -0.9724   -0.6233 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2698    0.3509   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982    1.0561   -0.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0577    0.9226   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1977    2.1917    0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9438    3.1020    0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2246    0.0535   -0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1194   -1.1477   -0.6636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5248    0.5523   -0.2280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6609   -0.2692   -0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7131   -1.4348    0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3726   -0.6424    1.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6601   -1.5413    0.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541   -2.4323    1.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5588   -2.6602   -0.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3045   -1.2024   -1.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1943    2.5967    0.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5934    4.1094    0.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5138    2.7273    1.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    3.2451   -0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5476    0.3846   -0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7400   -0.5940   -1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7502   -1.7387    0.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1540   -2.3087   -0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3940   -1.2558    1.3629 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