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
    4.0292    0.1439   -0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6808    0.7811   -0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6847   -0.1352    0.0466 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3782    0.3231    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1203    1.5080   -0.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069   -0.5235    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4456   -1.7715    0.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9912   -0.0133    0.6446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8610   -0.0812   -0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4949   -0.6166   -1.4899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2291    0.4683   -0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7087    0.5474    0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5217    0.3942   -1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684   -0.9593   -0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3831    1.1148   -1.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6867    1.6218    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5566   -2.1676    0.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2212   -2.4424    1.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8400   -0.2727    0.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6728    0.6143   -1.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2558    1.4664    0.1576 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