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
    4.1928   -0.1254    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8656   -0.7973   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7802    0.0782    0.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4957   -0.4372    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3608   -1.6433   -0.1695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6976    0.4003    0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786    1.6604    0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -0.2113    0.2056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1604    0.3208    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2815    1.5299    0.6356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4354   -0.4646    0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870    0.7182    0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9430   -0.9193    0.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5297    0.2579   -0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7692   -1.6221    0.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7438   -1.2053   -1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2312    2.3879    0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5718    1.9927    0.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1200    0.1692   -0.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1915   -1.4297   -0.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9123   -0.6599    1.1737 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