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
    4.0650    0.3334    0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718    0.8631    0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791   -0.0396    0.4178 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3492    0.3396    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1403    1.5139   -0.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7475   -0.5229    0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5148   -1.7178    1.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0514   -0.1060    0.5763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8467   -0.2762   -0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635   -0.8622   -1.5258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2386    0.2441   -0.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1380   -0.7568    0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7170    0.9050   -0.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4251    0.5522    1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5236    1.1041   -1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270    1.8256    0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -2.4030    1.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5184   -2.0406    1.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8790   -0.2023   -1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6618   -0.0996    0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2252    1.3460   -0.5563 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