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
    3.9623   -0.1908    0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7454    0.6288    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6473   -0.2667   -0.0229 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3739    0.1977   -0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2749    1.4218   -0.6190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7683   -0.7083   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.9922   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9984   -0.1707   -0.7246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8086    0.3224    0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3847    0.2574    1.4573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1438    0.9195    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4486   -0.6004   -0.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6652   -1.0707    1.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6727    0.4804    0.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    1.4252    0.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8809    1.1044   -0.9751 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3637   -2.3858    0.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597   -2.6458   -0.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9251    0.1402   -0.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1045    1.4978   -0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4217    1.6358    0.8315 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