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
   -3.3566   -0.5030   -0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2277   -1.4910   -0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0020   -0.7405   -0.6509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524    0.1908    0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6392    0.3453    1.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4528    0.9799    0.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5894    1.8404    1.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4943    0.8831   -0.4847 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570    0.0296   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5984   -0.7254    0.6359 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610   -0.0674   -1.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2406   -0.9337   -1.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7508   -0.1944    0.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0697    0.4198   -1.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2455   -2.1863   -1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -2.0356    0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1739    1.9706    2.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4778    2.4393    1.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5452   -0.8614   -2.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8398    0.8891   -1.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6052   -0.2492   -0.7649 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