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
   -3.1311   -1.2591   -0.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6591   -0.0728   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2456    0.1321   -0.3768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5981    1.1766    0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2665    1.9586    0.9719 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8298    1.4208    0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3887    2.4263    0.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6407    0.5789   -0.6642 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2594   -0.5390   -0.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0638   -0.7796    1.0813 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1162   -1.4613   -0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0109   -1.7052   -0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3460   -2.0258   -1.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4689   -0.9634   -2.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1597    0.8684   -0.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7891   -0.3095    0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363    2.5976    0.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7947    3.0757    1.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5669   -2.3094   -1.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7020   -0.9344   -1.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766   -1.8756   -0.2177 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