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
   -3.1926    0.6849   -1.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8059   -0.0061   -0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3849   -0.0163   -0.1528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8087   -0.6041    0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5677   -1.1364    1.7884 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6696   -0.6175    1.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0993   -1.2004    2.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4274   -0.0125    0.1963 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7642    0.1383    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4896   -0.3264    1.0064 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3790    0.8459   -1.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1570    0.0125   -2.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1922    1.1619   -1.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4145    1.4670   -1.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2929    0.5127    0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1127   -1.0690   -0.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1329   -1.2728    2.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4223   -1.6696    2.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6060    1.5260   -1.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2345    1.4462   -0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    0.1358   -1.8498 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