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
   -3.4299    0.6836   -0.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4319    1.4286    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1588    0.8433    0.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8681   -0.4516    0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138   -1.1722    0.8752 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5215   -0.9972    0.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6827   -2.2379    0.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4890   -0.1465   -0.0877 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8210   -0.3436   -0.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2855   -1.4760   -0.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7260    0.7517   -0.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8773   -0.1771   -0.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8600    0.4153   -1.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2478    1.3914   -0.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8189    1.5688    1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347    2.4452   -0.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1645   -2.8183    1.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6270   -2.7232    0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7449    1.5028    0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7401    0.3406   -0.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3683    1.1723   -1.7432 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