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
    2.9504   -0.0269   -1.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -1.2441   -1.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7060   -0.8872   -1.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3136   -0.1930   -0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2336    0.0796    0.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0691    0.1852   -0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9765   -0.1306   -1.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063    0.8673    1.0092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7803    0.3021    2.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8156   -0.9496    2.2763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1085    1.2139    3.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    0.8476   -2.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8730   -0.3019   -2.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2563    0.2228   -0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1419   -1.7814   -2.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -1.9334   -0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7671   -0.6695   -1.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0236    0.1580   -0.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5847    0.7786    4.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1917    1.2561    3.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6643    2.2066    3.1219 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