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
   -3.4074    0.0903   -0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828   -0.2852    0.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6323   -0.9366    0.7138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6065   -0.2558    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033    0.9348   -0.2884 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330   -0.8127   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381   -2.0422    0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458   -0.0863   -0.6731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6234    0.7247    0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4771    0.7915    1.2800 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7082    1.5040   -0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5186    0.0639   -0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0902    1.1344   -0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9851   -0.6066   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7633    0.6369    1.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5563   -1.0226    1.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1654   -2.6404    0.8338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9199   -2.4620    0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7504    2.5089   -0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4894    1.7444   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951    1.0167   -0.5428 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