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
    3.1750    0.7970    0.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0472   -0.3249   -0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7669   -0.9294   -0.1912 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6054   -0.2258   -0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7766    1.0128   -0.7459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7118   -0.8274   -0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8388   -2.1019   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8309   -0.0814   -0.7683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5947    0.6019    0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2515    0.5492    1.3565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7952    1.3986   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1685    0.7059    1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2255    1.7892    0.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824    0.8079    1.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202    0.0614   -1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7799   -1.1336    0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8182   -2.5930   -0.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0072   -2.7539    0.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9063    1.5518   -1.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7999    2.3986    0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6931    0.8180    0.1634 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