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
   -2.7423   -0.6209   -2.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9065    0.6352   -2.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3096    0.8856   -1.0178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4571    0.0338   -0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1684   -1.0512   -0.8934 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0778    0.4497    0.9356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2542    1.6120    1.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538   -0.3846    1.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333   -0.3018    1.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348    0.5570    0.6357 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990   -1.1611    2.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2901   -0.5362   -1.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0705   -1.4932   -2.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4490   -0.7236   -3.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1612    0.5120   -3.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5940    1.5005   -2.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620    1.8778    2.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270    2.3101    0.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389   -2.0972    2.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8179   -0.6040    3.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1124   -1.4000    1.4467 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