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
   -3.1562   -0.6314    0.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4577   -0.9042   -0.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0913   -0.5414   -0.8509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7045    0.7789   -0.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377    1.5974   -0.4146 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6748    1.1971   -0.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9573    2.4680   -0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412    0.3348   -0.8012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3614   -0.3483    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9051   -0.1489    1.3934 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4984   -1.2737    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9326    0.1664    0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7069   -1.5036    0.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4961   -0.2737    1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4899   -2.0059   -1.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0012   -0.4190   -1.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9722    2.8557   -0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1754    3.2107   -0.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3196   -1.0744    0.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1572   -2.3407    0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9115   -1.1440   -0.9924 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