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
   -3.0961    1.1945    0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6392   -0.2321    0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2340   -0.1678   -0.0853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4608   -1.3010   -0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1001   -2.3935   -0.3420 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810   -1.2385   -0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6367   -2.3583   -0.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6263   -0.0325   -0.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1470    0.5636    0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214   -0.0575    1.7852 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8327    1.8909    0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8554    1.4404    1.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4634    1.8507   -0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1736    1.3286    0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   -0.8377    0.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1030   -0.6448   -0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7056   -2.3072   -0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1560   -3.3231   -0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8676    1.7023    0.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7898    2.4535    1.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2887    2.4695   -0.1765 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