Monomers

Ethyl 2-ethoxyprop-2-enoate

Identifiers

IUPAC name
ethyl 2-ethoxyprop-2-enoate
InchI
InChI=1S/C7H12O3/c1-4-9-6(3)7(8)10-5-2/h3-5H2,1-2H3
InchI Key
WXMSGMOIAQWILS-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)OCC
Canonical SMILES
CCOC(=C)C(=O)OCC
Isomeric SMILES
CCOC(=C)C(=O)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O3
Heavy Atom Count
10
Molecular Weight
144.17
Exact Molecular Weight
144.0786
Valence Electrons
58
Radical Electrons
0
tPSA
35.53
MolLogP
1.0997
H Bond Acceptors
3
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

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.5492    0.3790   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791    0.1317    0.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3280    0.1570    0.5677 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.7388   -0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6557   -1.5879   -0.8747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5330   -0.6705   -0.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0077   -1.5061   -1.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465    0.2703   -0.1888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6955    0.0887    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1830    1.4036    0.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    1.4293   -0.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436    0.3420   -1.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4091   -0.3246   -0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9151   -0.8584    1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7821    0.9522    1.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3697   -2.2401   -2.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0380   -1.4565   -1.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8044   -0.7192    0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2796   -0.1653   -0.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2742    1.4928    0.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6487    2.2192    0.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8809    1.4017    1.8088 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
  6  8  1  0
  8  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  7 16  1  0
  7 17  1  0
  9 18  1  0
  9 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers