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
   -3.2041    0.6086   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8544   -0.5993    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6123   -1.1544    0.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4628   -0.3976    0.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6116    0.7832    0.9832 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8673   -0.9179    0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9839   -2.1593   -0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9818   -0.1079    0.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4225    0.6651   -0.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8445    0.6537   -1.7088 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6201    1.5596   -0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7374    0.6476   -1.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9927    1.5565    0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3154    0.6170   -0.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9555   -0.2993    1.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303   -1.3961    0.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0934   -2.7499   -0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9512   -2.6068   -0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1443    1.5510   -1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2329    1.1617    0.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350    2.5844   -0.2167 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