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
   -3.1181    0.3570    0.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9914   -0.3897   -0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6939   -0.9755   -0.5882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5864   -0.1620   -0.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7469    1.0623   -0.4661 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7711   -0.6923   -0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0153   -1.9699   -0.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540    0.1798   -0.7429 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4571    0.4802    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0127   -0.0386    1.5016 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    1.4230    0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6441    1.3153    0.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7921   -0.2021    1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.5565    1.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2112    0.2976   -1.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750   -1.1714   -0.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2016   -2.6640   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0133   -2.3227   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4077    2.2849   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4671    0.8793   -0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8780    1.7525    1.4666 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