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
   -4.0085   -0.1768    0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7762   -0.8097   -0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6711    0.0048   -0.1294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760   -0.2464   -0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1932   -1.2690   -1.2463 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7126    0.6345   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718    1.6931    0.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0321    0.3822   -0.5396 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8805   -0.4062    0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243   -0.8801    1.3130 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2694   -0.7147   -0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9244   -0.7495   -0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0919    0.9004   -0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8554   -0.1200    1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9306   -0.7899   -1.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737   -1.8260   -0.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2844    2.3712    0.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479    1.8729    0.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5658   -1.6896    0.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4811   -0.6707   -1.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9268    0.0503    0.3794 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