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
    3.3851    0.6174    0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    1.4202    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    0.6605    0.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6781   -0.4478   -0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5402   -0.7669   -1.4559 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580   -1.2188   -0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7802   -2.2690   -1.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4893   -0.8413    0.5123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4787    0.0490    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5144    0.4958   -1.0080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4661    0.4387    1.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7095    0.8093    1.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1785    1.0504   -0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2557   -0.4427    0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1855    1.9458   -0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0547    2.2425    0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6803   -2.8420   -1.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0617   -2.5654   -1.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9198    0.9498    2.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9638   -0.4524    1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1652    1.1670    0.7387 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