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
   -3.1819    0.5074    0.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1950    1.3255   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9060    0.7576   -0.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139   -0.5268   -0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268   -1.1812   -0.8804 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505   -1.2154   -0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6568   -2.4984   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8346   -0.7705    0.1466 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2181    0.4196    0.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3551    1.3258    0.7424 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6267    0.6991    1.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9271    1.1902    1.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7726   -0.1794    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6180    0.0320    1.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1935    2.3511    0.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5263    1.4094   -1.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517   -2.9214   -1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5284   -3.1220   -0.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7877    1.7816    0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7873    0.4252    2.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3675    0.1905    0.4530 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