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
   -3.5202    0.8954    0.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8048   -0.3836    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4022   -0.1514    0.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5696   -1.2225   -0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0868   -2.3582   -0.3536 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088   -1.0266   -0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5776   -2.1189   -0.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066    0.2293   -0.2746 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6850    0.6228   -0.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6098   -0.1877   -0.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381    2.0447   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8496    1.6397    0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3366    0.6803    1.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0463    1.3183   -0.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2136   -0.8423   -0.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9986   -1.1225    1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388   -2.1075   -0.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183   -3.0735   -0.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4780    2.1330    0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0172    2.2642   -0.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3502    2.7669   -0.4287 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