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
    3.2790    0.8952    0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1497    0.7619    1.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9716    0.4451    0.4693 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924   -0.6744   -0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7188   -1.5021   -0.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042   -0.8621   -0.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7505   -1.9186   -1.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237    0.0666   -0.8185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4002   -0.1445    0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2549   -1.1261    1.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4947    0.8459    0.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1916    0.4203    0.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9686    0.4348   -0.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4334    1.9869   -0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3781    0.0020    1.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9711    1.7381    1.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0536   -2.6405   -1.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6878   -2.0519   -2.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8600    0.7913    1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3118    0.6597   -0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1201    1.8725    0.2057 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