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
   -1.8086    0.8852    2.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1596    0.4413    1.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148    0.0365    0.6789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263    0.9060    0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1077    2.0848    0.9226 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2293    0.5354   -0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2091    1.4005   -0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337   -0.7334   -0.7814 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9065   -1.1491   -2.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3816   -0.3044   -2.7756 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0887   -2.5620   -2.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5289    0.5032    3.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030    0.5184    3.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517    2.0014    2.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8132   -0.4487    1.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7365    1.2242    0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1700    2.4158   -0.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0941    1.1152   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4566   -2.8252   -3.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1372   -2.8435   -2.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6911   -3.2017   -1.5798 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