Monomers

2-Propenoic acid, 2-(acetyloxy)-, ethyl ester

Identifiers

IUPAC name
ethyl 2-acetyloxyprop-2-enoate
InchI
InChI=1S/C7H10O4/c1-4-10-7(9)5(2)11-6(3)8/h2,4H2,1,3H3
InchI Key
UMSUVRQADXVIDD-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)OC(=O)C
Canonical SMILES
CCOC(=O)C(=C)OC(=O)C
Isomeric SMILES
CCOC(=O)C(=C)OC(=O)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O4
Heavy Atom Count
11
Molecular Weight
158.153
Exact Molecular Weight
158.0579
Valence Electrons
62
Radical Electrons
0
tPSA
52.6
MolLogP
0.6263
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

 21 20  0  0  0  0  0  0  0  0999 V2000
   -4.0770    0.1168    0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7174    0.6932   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6960   -0.2767   -0.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3953    0.1791   -0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1882    1.4212   -0.3123 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7479   -0.7024   -0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5670   -1.9925   -0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0190   -0.1891   -0.5758 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690    0.0979    0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550   -0.1226    1.6333 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2489    0.6578    0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0408   -0.9717   -0.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8257    0.6510   -0.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4577    0.2687    1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4643    1.3023    0.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7272    1.3729   -0.9063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4249   -2.3881   -0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4126   -2.6490   -0.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0256   -0.1131    0.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3738    1.5019    0.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2958    1.1422   -0.7476 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  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  7 17  1  0
  7 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers