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
   -3.2828    0.3469   -0.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3268    1.2854   -0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.7321   -0.3229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7776   -0.5248    0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7276   -1.1216    0.7997 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5360   -1.1396    0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7176   -2.3246    0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6222   -0.5340   -0.4493 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    0.2943    0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2317    0.4714    1.4769 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233    0.9139   -0.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7125   -0.1896   -1.7107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0827    0.9521   -1.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6948   -0.3321   -0.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5941    1.3331    0.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3774    2.3109   -0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1209   -2.8097    1.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804   -2.8394    0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7924    1.9674   -0.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4857    0.8404   -1.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5643    0.3675   -0.1751 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