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
    4.0160    0.3314   -0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6950    0.8118   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6762   -0.1772   -0.2415 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3880    0.1162    0.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1852    1.2552    0.6714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7049   -0.8303    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5205   -2.0424   -0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9744   -0.4832    0.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8696    0.1169   -0.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5170    0.3405   -1.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2183    0.4800    0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7589    0.3297    0.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4519    1.0185   -1.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9607   -0.6830   -1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7573    1.0204    0.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    1.7192   -0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -2.3734   -0.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3235   -2.7424   -0.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1949    0.8220    1.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5516    1.3539   -0.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8854   -0.3839   -0.0239 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