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
   -3.9145   -0.0196    0.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7383    0.6094    0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6413   -0.2871    0.2892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4303    0.0871   -0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000    1.2563   -0.7957 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7182   -0.8046   -0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5923   -1.9933    0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8702   -0.3382   -0.9324 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768    0.3407   -0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7539    0.5595    0.9331 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0832    0.8010   -1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -0.5975    1.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5220   -0.6603    0.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5530    0.8184    1.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9736    1.0028   -0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4102    1.4674    0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171   -2.7142    0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3284   -2.2928    0.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7989    1.0328   -2.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4938    1.7233   -0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8451    0.0089   -1.0229 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