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
   -3.5128    0.4338    0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8826   -0.8456    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6063   -1.0608   -0.0386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5676   -0.1569    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8061    0.8648    0.8193 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551   -0.3817   -0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9359   -1.4752   -1.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7900    0.5239   -0.3138 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759    0.4373    0.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5446   -0.4991    1.5545 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7973    1.3886    0.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5460    0.2158   -0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5805    1.1753    0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9741    0.8578   -0.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8394   -0.8108    1.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5161   -1.7132    0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9050   -1.6342   -1.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1593   -2.2083   -1.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5061    2.4372    0.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1445    1.3686    1.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6177    1.0827    0.2591 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