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
   -4.0866   -0.0525   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213    0.7723    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7506   -0.0077   -0.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5166    0.4787    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4355    1.6382    0.7111 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -0.3398    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416   -1.5561   -0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8836    0.2303    0.5360 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1361   -0.2767    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3582   -1.4231    0.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3031    0.5230    1.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1276    0.0357   -1.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0049    0.3632    0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9612   -1.1368   -0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8825    1.6915   -0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1091    1.1180    1.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4541   -2.2046   -0.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3388   -1.9643   -0.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9312    1.1374    1.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0746   -0.1553    1.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    1.1287    0.1533 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