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
   -3.4132    0.7669   -0.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4782   -0.2387   -1.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1881   -0.1955   -0.9273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9057   -0.4254    0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8219   -0.6963    1.1859 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4808   -0.3691    0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5684   -0.6170    2.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5055   -0.0727    0.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8136    0.0163    0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2360   -0.1657    1.5965 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731    0.3521   -0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923    1.7842   -0.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3587    0.7660   -1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5619    0.5486    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3964    0.0306   -2.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9352   -1.2445   -1.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263   -0.8432    2.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824   -0.6166    2.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7762   -0.2326   -0.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061    0.0744   -1.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1358    1.4351   -0.5312 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