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
   -3.0860   -1.2204    0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8721   -0.0289    1.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7448    0.7246    0.7759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4487    0.2215    0.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296   -0.9839    1.1052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6939    1.0535    0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5306    2.3157    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9447    0.4650    0.4682 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4840   -0.1593   -0.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.1967   -1.7036 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8222   -0.7764   -0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1203   -1.6067    0.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3922   -2.0459    0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1172   -0.9544   -0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9023   -0.3647    2.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7650    0.6448    0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4075    2.8906   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420    2.7803    0.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.1552   -1.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2287   -0.7989    0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7671   -1.8045   -0.9494 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